Molecule Details

CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1
3-aminopyridine-like Assayed
View on Fragalysis x10876
Molecular Properties
SMILES:
CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1
MW: 393.16
Fraction sp3: 0.29
HBA: 6
HBD: 0
Rotatable Bonds: 6
TPSA: 51.51
cLogP: 3.89
Covalent Warhead:
Covalent Fragment:
Activity Data
IC50 (µM) - Fluorescence: 1.79372477414291
IC50 (µM) - RapidFire: 5.36883150229248
Trypsin IC50 (µM): 99.0
pIC50 (µM) - Fluorescence 5.74624419353312
Average Inhibition @ 20 µM - Fluorescence: 84.433275
Average Inhibition @ 50 µM - Fluorescence: 90.45516
Average Inhibition @ 50 µM - RapidFire: 90.2864920436047
Relative Solubility @ 20 µM: 0.92
Relative Solubility @ 100 µM: 0.48
Order Status
Shipped: synthesis in progress

N,N-Dialkyl aniline derivatives (2)

CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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CS(=O)(=O)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-1901c25b-2

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CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cc2cncc3ccccc23)cc1

PET-UNK-1901c25b-1

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CN(C)c1ccc(N(Cc2ccn[nH]2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-1901c25b-3

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CN(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-2

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O=C1CC(Oc2cc(Cl)cc(N(C(=O)Cn3nnc4ccccc43)c3ccc(NC(=O)C4CC4)cc3)c2)N1

DAR-DIA-667e571f-6

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O=C1CC(Oc2cc(Cl)cc(N(CCC3CCCCC3)C(=O)Cn3nnc4ccccc43)c2)N1

DAR-DIA-667e571f-7

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CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-3

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O=C(Cn1nnc2ccccc21)Nc1cc(Cl)cc(OC2CC(=O)N2)c1

DAR-DIA-667e571f-1

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O=C1CC(Oc2cc(Cl)cc(N(C(=O)Cn3nnc4ccccc43)c3ccccc3)c2)N1

DAR-DIA-667e571f-4

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CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-5

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Cc1nnn(CC(=O)N(Cc2ccsc2)c2ccc(N(C)C)cc2)c1C

PET-UNK-b75fdf9f-3

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(Cl)cc1

PET-UNK-b75fdf9f-1

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1Br

PET-UNK-b75fdf9f-2

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CN(C)c1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-6d04362c-2

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(N2CCOCC2)cc1

ALP-POS-6d04362c-4

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(N2CCCCC2)cc1

ALP-POS-6d04362c-3

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CN(C)c1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-6d04362c-1

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O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)c1ccc(N2CCOCC2)cc1

ALP-POS-6d04362c-5

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CN(C)c1ccc(N(C(=O)Cc2cncc3ccccc23)c2cccc(Cl)c2)cc1

MIC-UNK-d36ab305-6

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CN(C)c1ccc(C(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)cc1

MIC-UNK-d36ab305-4

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CC(=O)Nc1ccc(N(C(=O)Cc2cncc3ccccc23)c2cccc(Cl)c2)cc1

MIC-UNK-d36ab305-3

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CC(=O)Nc1ccc(C(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)cc1

MIC-UNK-d36ab305-1

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CN(C)c1ccc(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)cc1

MIC-UNK-d36ab305-5

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CC(=O)Nc1ccc(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)cc1

MIC-UNK-d36ab305-2

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Cc1ccncc1CN1C(=O)C(=O)c2ccc(Br)cc21

DAR-DIA-53551c05-1

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O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2cc(Br)ccc21

DAR-DIA-53551c05-20

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Cc1ccncc1CN1C(=O)C(=O)c2ccccc21

DAR-DIA-53551c05-4

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O=C1C(=O)N(Cc2cc(=O)[nH]c3ccccc23)c2cc(-c3cccc(Cl)c3)ccc21

DAR-DIA-53551c05-18

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O=C1CC(Oc2cc(Cl)cc(-c3ccc4c(c3)N(Cc3cncc5ccccc35)C(=O)C4=O)c2)N1

DAR-DIA-53551c05-11

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O=C1C(=O)N(Cn2nnc3ccccc32)c2ccccc21

DAR-DIA-53551c05-8

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Cc1ccncc1CN1C(=O)C(=O)c2ccc(-c3cccc(Cl)c3)cc21

DAR-DIA-53551c05-3

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O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2cc(-c3cccc(Cl)c3)ccc21

DAR-DIA-53551c05-17

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Cc1ccncc1CN1C(=O)C(=O)c2ccc(-c3ccccc3)cc21

DAR-DIA-53551c05-2

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O=C1C(=O)N(Cc2cncc3ccccc23)c2ccccc21

DAR-DIA-53551c05-6

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O=C1CC(Oc2cc(Cl)cc(-c3ccc4c(c3)N(Cc3cc(=O)[nH]c5ccccc35)C(=O)C4=O)c2)N1

DAR-DIA-53551c05-16

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O=C1C(=O)N(Cc2cncc3ccccc23)c2cc(Br)ccc21

DAR-DIA-53551c05-10

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O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc21

DAR-DIA-53551c05-22

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O=C1C(=O)N(Cn2nnc3ccccc32)c2cc(Br)ccc21

DAR-DIA-53551c05-9

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O=C1CC(Oc2cc(Cl)cc(-c3ccc4c(c3)N(Cn3nnc5ccccc53)C(=O)C4=O)c2)N1

DAR-DIA-53551c05-13

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O=C1C(=O)N(Cn2nnc3ccccc32)c2cc(-c3cccc(Cl)c3)ccc21

DAR-DIA-53551c05-14

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O=C1C(=O)N(Cc2cccnc2)c2ccccc21

DAR-DIA-53551c05-5

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O=C1C(=O)N(Cc2cncc3ccccc23)c2cc(-c3cccc(Cl)c3)ccc21

DAR-DIA-53551c05-12

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O=C1C(=O)N(Cc2cc(=O)[nH]c3ccccc23)c2cc(Br)ccc21

DAR-DIA-53551c05-19

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Cc1ccncc1CN1C(=O)C(=O)c2ccc(-c3cc(Cl)cc(OC4CC(=O)N4)c3)cc21

DAR-DIA-53551c05-7

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O=C1CC(Oc2cc(Cl)cc(-c3ccc4c(c3)N(C(=O)c3cc(=O)[nH]c5ccccc35)C(=O)C4=O)c2)N1

DAR-DIA-53551c05-15

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O=C1C(=O)N(Cc2cc(=O)[nH]c3ccccc23)c2ccccc21

DAR-DIA-53551c05-21

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(Cl)cc1

PET-UNK-b75fdf9f-1
0.813

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CN(CCO)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RUT-UNI-630c5802-26
0.810

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1

RAL-THA-4a5dabff-1
0.797

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CNc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-c59291d4-4
0.795

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COc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-bad7201a-5
0.785

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CS(=O)(=O)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-1901c25b-2
0.775

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CC(C)Cc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RUT-UNI-630c5802-24
0.765

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CC(C)(C(N)=O)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-c0c213c9-6
0.765

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccccc2)cc1

ALP-POS-c59291d4-1
0.762

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CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-2
0.753

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CCC1(c2ccc(N(Cc3ccsc3)C(=O)Cn3nnc4ccccc43)cc2)CC1

RUT-UNI-630c5802-27
0.747

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CNC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ROB-IMP-e811baff-1
0.738

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-c59291d4-2
0.729

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CN(C)c1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-6d04362c-1
0.727

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(N2CCCCC2)cc1

ALP-POS-6d04362c-3
0.709

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(N2CCOCC2)cc1

ALP-POS-6d04362c-4
0.709

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1cccnc1

RAL-THA-4a5dabff-3
0.704

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CN(C)c1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-bad7201a-15
0.687

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CN(C)c1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-6d04362c-2
0.687

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O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)C1CC1

ALP-POS-c59291d4-3
0.685

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CN(C)c1ccc(N(Cc2cscn2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-87c86d55-1
0.683

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O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

RUT-UNI-630c5802-1
0.678

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-8
0.656

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Nc1ccc(C2(c3ccc(N(Cc4ccsc4)C(=O)Cn4nnc5ccccc54)cc3)CCCCC2)cc1

RUT-UNI-630c5802-25
0.653

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

MAT-POS-ffe83904-1
0.653

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CN(C)c1ccc(N(Cc2ccn[nH]2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-1901c25b-3
0.643

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CN(C)c1ccc(N(Cc2ccn[nH]2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-7374c256-2
0.643

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1Br

PET-UNK-b75fdf9f-2
0.635

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Cc1nnn(CC(=O)N(Cc2ccsc2)c2ccc(N(C)C)cc2)c1C

PET-UNK-b75fdf9f-3
0.625

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CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2cnc3ccccc32)cc1

PET-UNK-7374c256-1
0.624

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CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2cnc3ccccc32)cc1

ALP-POS-8ed8d9ec-7
0.624

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CCN(C)CCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-21
0.591

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CC(C)(C)CCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-17
0.586

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CC(CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21)N(C)C

RUT-UNI-630c5802-18
0.586

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CN(C)c1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RAL-THA-4a5dabff-5
0.584

View
CCC(C)(C)CCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-20
0.573

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COC(C)CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-19
0.562

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CC(C)NCCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-22
0.560

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Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3ccccc3)cc2)c1

MAD-UNK-84a4f939-1
0.554

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Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3ccccc3)cc2)c1

MAD-UNK-b1ea4171-1
0.554

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1cc(CF)c(-c2ccccc2)c(F)c1F

HOL-KAN-828c7b64-1
0.535

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CCC(=O)Nc1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-bad7201a-14
0.533

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Nc1ccc(CCC(=O)N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RUT-UNI-630c5802-23
0.516

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CN(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-1
0.511

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O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)c1ccc(N2CCOCC2)cc1

ALP-POS-6d04362c-5
0.511

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CCC(=O)Nc1ccc(N(Cc2cscn2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-87c86d55-2
0.500

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Cn1cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(N3CCCCC3)cc2)cn1

ALP-POS-7c842ab8-1
0.500

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Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(NC(=O)c3ccccc3)cc2)c1

RUT-UNI-630c5802-5
0.490

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O=C(Nc1ccc(N(Cc2csc(F)c2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

RUT-UNI-630c5802-9
0.481

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CCC(C)N(C)C(=O)Cn1nnc2ccccc21

MAR-LAB-ca4662a6-7
0.469

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CN(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21

EDJ-MED-06d94977-2
0.461

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O=C(Cn1nnc2ccccc21)N(Cc1ccccn1)c1ccc(-n2cnnc2)cc1

ALP-POS-c0c213c9-18
0.459

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COc1cc(Cl)cc(N(C(=O)Cn2nnc3ccccc32)c2ccc(N(C)C)cc2)c1

MAT-POS-06036648-2
0.459

View
O=C(Cn1nnc2ccccc21)C(Cc1ccsc1)c1ccccc1

RAL-THA-4a5dabff-4
0.457

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O=C(Cn1nnc2ccccc21)N(Cc1ccccn1)c1cnc(-c2ccccc2)nc1

ALP-POS-c0c213c9-15
0.454

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CCC(=O)Nc1ccc(N(C)C(=O)Cn2nnc3ccccc32)cc1

EDJ-MED-06d94977-1
0.451

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Cc1ccc(N(Cc2ccsc2)C(=O)Nn2nnc3ccccc32)cc1

ALP-POS-bad7201a-9
0.443

View
CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cc2cncc3ccccc23)cc1

PET-UNK-1901c25b-1
0.433

View
CCC(=O)Nc1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-7
0.433

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CN(Cc1ccc(OCc2cccs2)cc1)C(=O)Cn1nnc2ccccc21

AAR-POS-8a4e0f60-8
0.422

View
CN(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-2
0.418

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O=C(Nc1ccc(N(Cc2cc(F)co2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

RUT-UNI-630c5802-13
0.417

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CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cn1nnc2ccccc21

AAR-POS-8a4e0f60-1
0.416

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nncc2-c2ccccc2)cc1

RAL-THA-d07c7800-1
0.413

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CCC(=O)Nc1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RAL-THA-4a5dabff-6
0.413

View
O=C(CN(C(=O)Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1)N1CCNCC1

ALP-POS-c0c213c9-3
0.413

View
NCc1cn(CC(=O)N(Cc2ccsc2)c2ccc(-c3ccccc3)cc2)nn1

ALP-POS-c0c213c9-5
0.412

View
CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-5
0.408

View
CN(C(=O)Cn1nnc2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

AAR-POS-8a4e0f60-7
0.406

View
CCC(C)(C)CCN(C(=O)Cn1nnc2ccccc21)c1ccc(Oc2nnn[nH]2)cc1

WIL-UNI-2e73223c-2
0.406

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NCc1cn(CC(=O)N(Cc2ccsc2)c2ccc(-n3cnnc3)cc2)nn1

ALP-POS-c0c213c9-11
0.400

View
NCc1cn(CC(=O)N(Cc2ccsc2)c2ccc(N3CCOCC3)cc2)nn1

ALP-POS-c0c213c9-12
0.398

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2ccnn2)cc1

RAL-THA-d07c7800-3
0.398

View
O=C(Cn1nnc2ccccc21)N(Cc1csc(O)c1)c1cc(CF)c(-c2ccccc2)c(Cl)c1F

HOL-KAN-47917554-1
0.395

View
O=C(Cn1nnc2ccccc21)N(CC1CCOC1)c1ccc(C2CCNCC2)cc1

ALP-POS-c0c213c9-13
0.385

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2cc(-c3ccccc3)nn2)cc1

RAL-THA-d07c7800-2
0.383

View
CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-3
0.381

View
CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1

MAR-LAB-ff9967db-24
0.375

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2ccnc2)cc1

RAL-THA-d07c7800-6
0.374

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2cncc2-c2ccccc2)cc1

RAL-THA-d07c7800-4
0.370

View
CCC(C)(C)CCN(C(=O)Cn1nnc2ccccc21)C(c1ccccc1)c1nnn[nH]1

WIL-UNI-2e73223c-1
0.370

View
O=C(Cn1nnc2ccccc21)NCc1cccs1

MAR-LAB-ca4662a6-8
0.370

View
CC(C)(C)NC(=O)C(c1ccc(Cl)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1

MAR-LAB-ff9967db-30
0.368

View
COc1ccc(N(Cc2ccsc2)C(=O)Nc2nnn3ccccc23)cc1

ALP-POS-8ed8d9ec-10
0.368

View
CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC)c2)cc1

MAT-POS-06036648-6
0.368

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2cnc(-c3ccccc3)c2)cc1

RAL-THA-d07c7800-5
0.367

View
O=C(Cn1nnc2ccccc21)c1ccc(OC(F)(F)F)cc1

ANT-OPE-45835252-1
0.363

View
O=C1CC(Oc2cc(Cl)cc(N(CCC3CCCCC3)C(=O)Cn3nnc4ccccc43)c2)N1

DAR-DIA-667e571f-7
0.362

View
CCOCC(=O)NCc1ccc(CNC(=O)Cn2nnc3ccccc32)cc1

AAR-POS-8a4e0f60-4
0.357

View
CC(C)CCNC(=O)C(c1ccc(F)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21

MAR-LAB-ff9967db-40
0.357

View
CN(C)c1ccc(C(Cc2ccsc2)C(=O)Nn2cnc3ccccc32)cc1

ALP-POS-a3de0cb1-7
0.356

View
O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

MAT-POS-3b92565d-14
0.355

View
O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

BEN-DND-61647d40-12
0.355

View
O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

MAT-POS-bfb445d4-1
0.355

View
CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21

MAR-LAB-ff9967db-19
0.355

View
COc1cc(Cl)cc(NC(=O)Cn2nnc3ccccc32)c1

MAT-POS-06036648-9
0.354

View
COc1cc(C(C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(=O)O)cc2)cc(OC)c1OC

MAR-LAB-ff9967db-38
0.353

View
CCC(C)(C)CCN(C(=O)Cn1nnc2ccccc21)C(c1ccccc1)c1cncnc1

WIL-UNI-2e73223c-3
0.349

View
CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC)c2)cc1

MAT-POS-06036648-4
0.345

View
O=C(Cn1nnc2ccccc21)NCc1cccc(Cl)c1

MAT-POS-3b92565d-13
0.344

View
CN(C)c1ccc(CCC(=O)N(Cc2ccsc2)c2ccccc2)cc1

0.500

View
CC1CCN(CC(=O)N(Cc2ccsc2)c2ccccc2)CC1

0.484

View
CC1CCC(C)N1CC(=O)N(Cc1ccsc1)c1ccccc1

0.476

View
O=C(Cn1cc(C2CC2)nn1)N(Cc1ccsc1)c1ccc(Br)cc1

0.471

View
O=C(Cn1cc(C2CC2)cn1)N(Cc1ccsc1)c1ccccc1

0.471

View
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccsc2)cc1

0.469

View
O=C(Cn1cc(C2CC2)nn1)N(Cc1ccsc1)c1ccccc1

0.463

View
O=C(Cn1nnnc1C1CC1)N(Cc1ccsc1)c1ccccc1

0.463

View
CN(C)c1ccc(NC(=O)N(Cc2ccsc2)C2CC2)cc1

0.460

View
CN(CCC(=O)Nc1ccc(N(C)C)cc1)Cc1ccsc1

0.459

View
CN(Cc1ccsc1)C(=O)Nc1ccc(N(C)C)cc1

0.458

View
O=C1CCN(CC(=O)N(Cc2ccsc2)c2ccc(Br)cc2)C(=O)N1

0.456

View
CC(C)c1nnnn1CC(=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.456

View
CN(C)c1ccc(CCC(=O)N(Cc2ccsc2)c2cccnc2)cc1

0.456

View
Cc1nnc(CC(=O)N(Cc2ccsc2)c2ccccc2)o1

0.455

View
CN(C)c1ccc(N(Cc2ccccn2)C(=O)Cc2ccsc2)cc1

0.455

View
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2ccsc2)cc1

0.455

View
CCN1CCN(CC(=O)N(Cc2ccsc2)c2ccccc2)C(=O)C1=O

0.455

View
CN(CC(=O)N(Cc1ccsc1)c1ccc(Br)cc1)S(C)(=O)=O

0.453

View
CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)Cc2ccsc2)cc1

0.453

View
CN(C)S(=O)(=O)N(C)CC(=O)N(Cc1ccsc1)c1ccccc1

0.452

View
CCC(=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.450

View
CN(C)CC(=O)N(Cc1ccsc1)c1ccccc1

0.450

View
CN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(N(C)C)cc1

0.450

View
O=C1C2C3C=CC(C3)C2C(=O)N1CC(=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.449

View
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)Cc1ccsc1

0.448

View
O=C1CCCN1CC(=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.448

View
Cc1nnc(CC(=O)N(Cc2ccsc2)c2ccc(Br)cc2)o1

0.448

View
Cn1cnn(CC(=O)N(Cc2ccsc2)c2ccc(Br)cc2)c1=O

0.448

View
O=C1CCN(CC(=O)N(Cc2ccsc2)c2ccccc2)C(=O)N1

0.448

View
CC(C)c1nnnn1CC(=O)N(Cc1ccsc1)c1ccccc1

0.448

View
CN(C)c1ccc(N(Cc2ccccn2)C(=O)CCc2ccsc2)cc1

0.448

View
CN1CC(=O)N(CC(=O)N(Cc2ccsc2)c2ccccc2)C1=O

0.448

View
O=C1CN(CC(=O)N(Cc2ccsc2)c2ccccc2)CCN1

0.448

View
O=C(CC1C=CCC1)N(Cc1ccsc1)c1ccccc1

0.446

View
CN(CC(=O)N(Cc1ccsc1)c1ccccc1)C(=O)C1CC1

0.446

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1

0.446

View
CN(C)c1ccc(CCC(=O)N(Cc2ccsc2)C2CC2)cc1

0.446

View
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccsc1)C1CC1

0.446

View
CN(C)c1ccc(NC(=O)C(=O)N(Cc2ccsc2)C2CC2)cc1

0.446

View
O=C(CC1CC1)N(Cc1ccsc1)c1ccc(Br)cc1

0.444

View
CN(CC(=O)N(Cc1ccsc1)c1ccccc1)S(C)(=O)=O

0.444

View
CN(C)c1ccc(C(=O)N(Cc2ccsc2)C2CC2)cc1

0.444

View
CN(Cc1ccsc1)C(=O)CCc1ccc(N(C)C)cc1

0.443

View
CN(C)C(=O)CCC(=O)N(Cc1ccsc1)c1ccccc1

0.443

View
CN(CC(=O)N(Cc1ccsc1)c1ccccc1)c1ccccc1

0.443

View
CN(C)C(=O)CC(=O)N(Cc1ccsc1)c1ccccc1

0.443

View
O=C1C2CCCCC2C(=O)N1CC(=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.441

View
Cc1cnn(CC(=O)N(Cc2ccsc2)c2ccc(Br)cc2)c1

0.441

View
O=C1C2C3C=CC(C3)C2C(=O)N1CC(=O)N(Cc1ccsc1)c1ccccc1

0.441

View
CN1CCN(CC(=O)N(Cc2ccsc2)c2ccccc2)CC1=O

0.441

View
CCC(=O)N(Cc1ccsc1)c1ccccc1

0.441

View
CN(Cc1ccsc1)C(=O)c1ccc(N(C)C)cc1

0.441

View
O=C(CN1CCS(=O)(=O)CC1)N(Cc1ccsc1)c1ccc(Br)cc1

0.439

View
O=C(Cn1cc(Br)cn1)N(Cc1ccsc1)c1ccc(Br)cc1

0.439

View
O=C1CCCN1CC(=O)N(Cc1ccsc1)c1ccccc1

0.439

View
O=C(CN1CCc2ccccc21)N(Cc1ccsc1)c1ccccc1

0.439

View
Cn1cnn(CC(=O)N(Cc2ccsc2)c2ccccc2)c1=O

0.439

View
CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)CCc2ccsc2)cc1

0.439

View
O=C(Cn1cnc2ccccc21)N(Cc1ccsc1)c1ccccc1

0.439

View
CN(C)c1ccc(C(=O)N(Cc2ccsc2)c2ccccc2)nc1

0.439

View
CN(C)c1ccc(NC(=O)CCN(Cc2ccsc2)C2CC2)cc1

0.439

View
CC1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccsc2)c2ccc(Br)cc2)C1=O

0.438

View
CC1CC1CC(=O)N(Cc1ccsc1)c1ccccc1

0.438

View
CN(C)c1ccc(CN(C(=O)Cc2ccsc2)C2CC2)cc1

0.438

View
O=C(Cn1cc2ccccc2n1)N(Cc1ccsc1)c1ccccc1

0.438

View
O=C(CC(=O)N(Cc1ccsc1)c1ccccc1)NC1CC1

0.438

View
O=C(CN1CCNCC1)N(Cc1ccsc1)c1ccccc1

0.438

View
O=C(Cn1nc2n(c1=O)CCCCC2)N(Cc1ccsc1)c1ccc(Br)cc1

0.437

View
CCCC(=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.435

View
O=C(CC1CC1)N(Cc1ccsc1)c1ccccc1

0.435

View
CC(=O)N(C)CC(=O)N(Cc1ccsc1)c1ccccc1

0.435

View
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccsc1

0.435

View
O=C1CCCCCN1CC(=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.435

View
O=C1C2C3CCC(O3)C2C(=O)N1CC(=O)N(Cc1ccsc1)c1ccccc1

0.435

View
O=C(Cn1nc2n(c1=O)CCCC2)N(Cc1ccsc1)c1ccccc1

0.435

View
CN(C)c1ccc(N(Cc2ccccn2)C(=O)CCCc2ccsc2)cc1

0.435

View
N#Cc1ncn(CC(=O)N(Cc2ccsc2)c2ccccc2)n1

0.435

View
O=C1c2ccccc2CCN1CC(=O)N(Cc1ccsc1)c1ccccc1

0.435

View
O=C(Cn1nnc2c1CCCC2)N(Cc1ccsc1)c1ccccc1

0.435

View
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccsc1

0.433

View
O=C(Cn1cnnn1)N(Cc1ccsc1)c1ccc(Br)cc1

0.433

View
O=C(Cn1cncn1)N(Cc1ccsc1)c1ccc(Br)cc1

0.433

View
O=C1CSCN1CC(=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.433

View
O=C1SCCN1CC(=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.433

View
O=C(Cn1cccn1)N(Cc1ccsc1)c1ccc(Br)cc1

0.433

View
O=C(Cn1ccnn1)N(Cc1ccsc1)c1ccc(Br)cc1

0.433

View
CN(C)c1ccc(C(=O)N(Cc2ccsc2)c2cccnc2)cc1

0.433

View
O=C1C2CCCCC2C(=O)N1CC(=O)N(Cc1ccsc1)c1ccccc1

0.433

View
O=C(Cn1c(=O)oc2ccccc21)N(Cc1ccsc1)c1ccccc1

0.433

View
O=C1CCCCN1CC(=O)N(Cc1ccsc1)c1ccccc1

0.433

View
Cc1cnn(CC(=O)N(Cc2ccsc2)c2ccccc2)c1

0.433

View
CS(=O)(=O)N1CCN(CC(=O)N(Cc2ccsc2)c2ccccc2)CC1

0.433

View
Cc1nc2ccccc2n1CC(=O)N(Cc1ccsc1)c1ccccc1

0.433

View
O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N(Cc1ccsc1)c1ccccc1

0.433

View
CN(C)c1ccc(N(C)C(=O)Cc2ccsc2)cc1

0.431

View
CC(C)(C#N)CC(=O)N(Cc1ccsc1)c1ccccc1

0.431

View
O=C(CC1CC1(Cl)Cl)N(Cc1ccsc1)c1ccccc1

0.431

View
O=C(Cn1cccn1)N(Cc1ccsc1)c1ccccc1

0.431

View
O=C1CCC(CC(=O)N(Cc2ccsc2)c2ccccc2)N1

0.431

View


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