Molecule Details

Cc1cc(-c2nc3ccccc3[nH]2)ccc1O
Assayed
Molecular Properties
SMILES:
Cc1cc(-c2nc3ccccc3[nH]2)ccc1O
MW: 224.263
Fraction sp3: 0.07
HBA: 2
HBD: 2
Rotatable Bonds: 1
TPSA: 48.91
cLogP: 3.24392
Covalent Warhead:
Covalent Fragment:
Activity Data
Average Inhibition @ 20 µM - Fluorescence: -10.34337
Average Inhibition @ 50 µM - Fluorescence: -36.7795575
Average Inhibition @ 50 µM - RapidFire: -3.72627121932803
Relative Solubility @ 20 µM: 0.99
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-05-18
Synthesis Location: wuxi
Shipped: 2020-06-30
CC(=O)NCCc1c[nH]c2ccc(F)cc12

AAR-POS-d2a4d1df-2

View

O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2c(c1)C(=O)NC2=O

COM-UCB-8c7d23dc-2
0.357

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O=C1CCCCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)N1

COM-UCB-1ef4e90e-3
0.341

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Oc1ccccc1CNc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-25
0.319

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CS(=O)(=O)Cc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-39
0.317

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O=C(CCl)n1cc(-c2nc3ccccc3[nH]2)c2ccc(O)cc21

SEB-HKI-06b43755-1
0.317

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O=C(O)CCc1nc2ccccc2[nH]1

MAR-TRE-ebcc4ad6-45
0.308

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CC(O)CNCc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-1
0.304

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COc1cc(CS)[n+](-c2nc3ccccc3[nH]2)cc1C

MAR-TRE-143fb005-29
0.291

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CCN(C)CNc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-2
0.286

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CCc1nc(SCc2nc3ccccc3[nH]2)c(C#N)cc1C

MAR-TRE-1c920f6f-61
0.286

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COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1

MAR-TRE-143fb005-30
0.282

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Oc1ccccc1CN1CCN(c2nc3ccccc3[nH]2)CC1

SWA-SYN-40d44a84-1
0.282

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.280

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N#CCCSCc1nc2ccccc2[nH]1

MAR-TRE-14ce9fd6-30
0.278

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Oc1nc(Cc2nc3ccccc3[nH]2)c(CCl)o1

MAR-TRE-8a25d817-28
0.276

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FC(F)c1ccccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-5
0.276

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COc1cc(C)c[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-34
0.275

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COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1C

MAR-TRE-143fb005-25
0.266

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Cc1c[n+](-c2nc3ccccc3[nH]2)c(CS)cc1OCC(F)(F)F

MAR-TRE-143fb005-14
0.264

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Oc1ccc(CN2CCNCC2)cc1CNc1nc2ccccc2[nH]1

MAK-UNK-1ac43cfa-1
0.264

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CS(=O)(=O)c1ccc(CNc2nc3ccccc3[nH]2)s1

JAR-KUA-672ec752-12
0.263

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Cl[Au+]=c1n(Cc2nc3ccccc3[nH]2)ccn1Cc1nc2ccccc2[nH]1

MAR-TRE-d3c2bf0e-16
0.260

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Cc1cccc2nc(-c3ccc(O)cc3O)[nH]c12

CAS-DEP-751a2458-1
0.260

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O=C(CCc1nc2ccccc2[nH]1)Oc1csc(CCl)n1

MAR-TRE-36bf7dba-66
0.259

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COCCCOc1cc(CS)[n+](-c2nc3ccccc3[nH]2)cc1C

MAR-TRE-143fb005-24
0.258

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CC(=O)NCCc1c[nH]c2c(Cc3nc4ccccc4[nH]3)cc(F)cc12

GAB-REV-4a4e2ff3-3
0.255

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COc1ccc[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-37
0.253

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C=CC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1

SAD-SAT-f0a2747f-6
0.253

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O=C(CCc1nc2ccccc2[nH]1)c1nc(O)sc1CCl

MAR-TRE-aca67d11-41
0.253

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COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1OC

MAR-TRE-143fb005-31
0.250

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N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCC2

MAR-TRE-14ce9fd6-40
0.247

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N#Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1

MAR-TRE-1c920f6f-65
0.247

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ClCc1ncc(NCc2nc3ccccc3[nH]2)[nH]1

MAR-TRE-87acfbcc-73
0.247

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O=c1[nH]cccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-4
0.241

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Cc1c(OCC(F)(F)F)cc[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-17
0.239

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ClCc1n[nH]cc1NCc1nc2ccccc2[nH]1

MAR-TRE-423310b6-61
0.237

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O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1nc2ccccc2[nH]1

ALP-POS-a30bcdb4-1
0.237

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COCCCOc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1

MAR-TRE-143fb005-19
0.236

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O=C(Nc1ccccc1Sc1nc2ccccc2[nH]1)c1cncnc1

MAR-TRE-9d18ae8c-12
0.236

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COCCCOc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1C

MAR-TRE-143fb005-13
0.233

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O=C(NC(Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cncnc1

MAR-TRE-9d18ae8c-20
0.231

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FC(F)(F)COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1

MAR-TRE-143fb005-16
0.230

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O=C(C(Nc1nc2ccccc2[nH]1)c1ccccc1O)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-1
0.228

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COCCCOc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1OC

MAR-TRE-143fb005-28
0.222

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COc1c(OCC(F)(F)F)cc[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-20
0.222

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COc1cccc(C(NC(=O)Cc2cccc(Cl)c2)c2nc3ccccc3[nH]2)c1

ALP-POS-ddb41b15-9
0.222

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O=S1(=O)CC(Oc2ccccc2CNc2nc3ccccc3[nH]2)C1

MAK-UNK-1bb0b7ee-12
0.216

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c1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)nc1

MAK-UNK-1bb0b7ee-9
0.213

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Cc1cc(SCC#N)nc2ccccc12

MAR-TRE-14ce9fd6-95
0.213

View
O=C(Nc1nc2ccccc2[nH]1)C(CCC1CCCCC1)c1cccc(Cl)c1

ALP-POS-3fc1724e-8
0.208

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O=C(Oc1cncc(Cl)c1)c1cc2ccccc2[nH]1

OLE-CAR-5b17bec5-3
0.207

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O=C1CC(Oc2cc(Cl)cc(C(CCc3ccccc3)C(=O)Nc3nc4ccccc4[nH]3)c2)N1

ALP-POS-a30bcdb4-2
0.207

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)Oc1ccccc1CNc1nc2ccccc2[nH]1

MAK-UNK-1bb0b7ee-14
0.206

View
c1ccc(OC2CCN(Cc3ccsc3)CC2)c(CNc2nc3ccccc3[nH]2)c1

MAK-UNK-a7992eb3-12
0.200

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CC(=O)NC(Cc1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-25
0.200

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Cc1ccc2[nH]c(SCC#N)nc2c1

MAR-TRE-1c920f6f-52
0.200

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Cc1ccc(-c2c(CN3CCC(O)CC3)cnn2-c2cccc(C)c2)cc1

MAK-UNK-e4a48a85-3
0.196

View
N#CCSc1nc2ccccc2s1

MAR-TRE-1c920f6f-99
0.194

View
c1ccc(C2(COc3ccccc3CNc3nc4ccccc4[nH]3)CCCC2)nc1

MAK-UNK-1bb0b7ee-5
0.190

View
Cc1cc(O)nc(SCC(=O)c2c(C)[nH]c3ccccc23)n1

MAR-TRE-f5c2d31c-69
0.189

View
Cc1c(O)cccc1C(=O)Oc1cncc(Cl)c1

GIA-UNK-3883fa4f-2
0.188

View
Cc1n[nH]c(-c2ccc(C)c(NC(=O)C3CCN(C(=O)CCl)CC3)c2)n1

LON-WEI-120e5cf5-7
0.188

View
O=C(Nc1ccccc1Oc1ccccc1CNc1nc2ccccc2[nH]1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-4
0.188

View
Cc1cc(C)c(C#N)c(SCc2nnnn2-c2ccccc2)n1

MAR-TRE-1c920f6f-70
0.187

View
Cc1ccncc1NC(=O)CN(C)c1cc2ccccc2[nH]1

GAB-REV-70cc3ca5-7
0.187

View
Cc1nnc2c(=S)[nH]c3ccccc3n12

MAT-POS-ea426761-103
0.184

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Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O

MAR-TRE-fffca54f-77
0.184

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CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnn2ccccc12

MAR-TRE-c8530538-86
0.184

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CC1C(Oc2ccccc2CNc2nc3ccccc3[nH]2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-15
0.182

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c1ccc(CN2CCOC(COc3ccccc3CNc3nc4ccccc4[nH]3)C2)cc1

MAK-UNK-a7992eb3-19
0.182

View
Cc1nn(-c2nc3ccccc3s2)c(O)c1CCC#N

MAR-TRE-14ce9fd6-66
0.182

View
Cc1n[nH]c(-c2ccc(C)c(NC(=O)C3CC4CC3CN4C(=O)CCl)c2)n1

MAK-UNK-3e0761f8-3
0.182

View
Cc1ccc(C(=O)/C=C/c2cnc3ccccc3n2)cc1

DRV-DNY-ae159ed1-6
0.181

View
Cc1cc(F)cc(-c2nc(-c3cccnc3)nc3ccccc23)c1

WAR-XCH-bdd24732-17
0.180

View
CSc1ccccc1C(=O)Nc1nc(=O)c2ccccc2[nH]1

MAT-POS-ea426761-14
0.180

View
Cc1ccn2c(-c3cccc4[nH]ncc34)c(-c3ccc(F)cc3)nc2c1

ALV-UNI-7ff1a6f9-15
0.179

View
O=C(On1nnc2ccccc21)c1ccc2[nH]ccc2c1

MAD-UNK-2d4faae7-1
0.178

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

KRI-MAR-d2e3ef86-4
0.175

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

MAT-POS-916a2c5a-3
0.175

View
CSc1nc2ccccc2n1CCCC#N

MAR-TRE-a3327163-51
0.175

View
Cc1cc(SCc2ccc(C#N)cc2)nc2ccccc12

MAR-TRE-14ce9fd6-47
0.174

View
Cc1ccc(S(=O)(=O)NC(=O)NCCc2c[nH]c3ccccc23)cc1

MAR-TRE-fd17a9b8-35
0.174

View
Cn1c(-c2cn(C(=O)CCl)c3cc(O)ccc23)nc2ccccc21

SEB-HKI-06b43755-2
0.174

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

ALP-POS-87c86d55-1
0.173

View
O=C(N(c1cccnc1)c1cnc(-c2ccc3ncccc3c2)[nH]1)n1ccnc1

IAN-BAS-a0d88a3d-1
0.173

View
O=C(c1cnc2ccccc2c1)c1nc(O)sc1CCl

MAR-TRE-aca67d11-28
0.172

View
O=C(Oc1cncc(Cl)c1)c1cccc2c[nH]cc12

JON-UIO-314afe9d-1
0.172

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

DAR-DIA-53551c05-14
0.172

View
Cc1nc2ccc(NC(=O)CSc3ncccc3C#N)cc2[nH]1

MAR-TRE-6c5ef77a-55
0.172

View
CCOc1ncccc1C(=O)NCCc1nc2ccccc2c(=O)[nH]1

MAR-TRE-c8530538-97
0.172

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

MAR-LAB-ca4662a6-7
0.171

View
C=CC(=O)N1CCCCC1c1nc2ccccc2s1

AHN-SAT-02ef6d10-1
0.170

View
O=C(NCc1cc(=O)[nH]c2ccccc12)c1cncnc1

MAR-TRE-92684b97-53
0.170

View
N#Cc1cncc(NC(=O)Cn2nnc3ccccc32)c1

BEN-DND-61647d40-2
0.170

View
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1c1ccc2[nH]c(C(F)F)nc2c1

IAN-BAS-8ad3d156-1
0.170

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

ALP-POS-c0c213c9-3
0.170

View
Cc1nc(NCC2CCCO2)sc1C(=O)NCCc1c[nH]c2ccccc12

MAR-TRE-fd17a9b8-25
0.170

View
Cc1ccc2nn(-c3cc(C(=O)c4cc(-n5nc6ccc(C)cc6n5)c(O)cc4O)c(O)cc3O)nc2c1

HOL-KAN-2ecfe6d5-1
0.169

View
Cc1cc(N2CCn3c(nc4ccccc43)C2)ccc1N

MAT-POS-ea426761-102
0.169

View
CN(c1cncnc1)C(Cc1c[nH]c2ccccc12)C(=O)O

MAR-TRE-85681e92-33
0.169

View
Cc1cc(-c2nc3ccccc3[nH]2)cc(C)c1O

0.765

View
Cc1ccc(-c2nc3ccccc3[nH]2)cc1C

0.735

View
Cc1cc(-c2nc3ccccc3[nH]2)ccc1F

0.694

View
Oc1ccc(-c2nc3ccccc3[nH]2)cc1Br

0.676

View
Oc1ccc(-c2nc3ccccc3[nH]2)cc1Cl

0.676

View
COc1cc(-c2nc3ccccc3[nH]2)ccc1O

0.667

View
Cc1ccc(-c2nc3ccccc3[nH]2)cc1F

0.649

View
COc1ccc(-c2nc3ccccc3[nH]2)cc1C

0.641

View
Cc1cc(-c2nc3ccccc3[nH]2)ccc1C#N

0.641

View
CCOc1cc(-c2nc3ccccc3[nH]2)ccc1O

0.634

View
Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1O

0.630

View
O=[N+]([O-])c1cc(-c2nc3ccccc3[nH]2)ccc1O

0.610

View
Oc1ccc(-c2nc3ccccc3[nH]2)cc1

0.600

View
Cc1ccc(-c2nc3ccccc3[nH]2)cc1

0.600

View
COc1cc(-c2nc3ccccc3[nH]2)ccc1C

0.600

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Oc1cccc(-c2nc3ccccc3[nH]2)c1

0.595

View
Cc1cccc(-c2nc3ccccc3[nH]2)c1

0.595

View
Cc1cc(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1O

0.592

View
Oc1c(F)cc(-c2nc3ccccc3[nH]2)cc1F

0.579

View
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(O)c(C)c1

0.577

View
Cc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]

0.571

View
O=[N+]([O-])c1ccc(-c2nc3ccccc3[nH]2)cc1O

0.571

View
Fc1ccc(-c2nc3ccccc3[nH]2)cc1F

0.568

View
c1ccc2cc(-c3nc4ccccc4[nH]3)ccc2c1

0.568

View
Fc1cc(-c2nc3ccccc3[nH]2)cc(F)c1F

0.568

View
Cc1cc(-c2nc3ccccc3[nH]2)cnc1Cl

0.561

View
Cc1cc(-c2nc3ccccc3[nH]2)ccc1-n1cncn1

0.556

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Clc1ccc(-c2nc3ccccc3[nH]2)cc1Cl

0.553

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Fc1cccc(-c2nc3ccccc3[nH]2)c1

0.553

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CSc1ccc(-c2nc3ccccc3[nH]2)cc1

0.553

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COc1ccc(-c2nc3ccccc3[nH]2)cc1OC

0.550

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FC(F)(F)c1cccc(-c2nc3ccccc3[nH]2)c1

0.550

View
Cc1cc(-c2nc3c(C)cccc3[nH]2)cc(C)c1O

0.550

View
COc1cc(-c2nc3ccccc3[nH]2)cc(O)c1O

0.548

View
Cc1cc(-c2nc3ccccc3[nH]2)cc2cccnc12

0.548

View
Oc1cc(-c2nc3ccccc3[nH]2)cc(C(F)(F)F)c1

0.548

View
Cc1cccc2[nH]c(-c3ccc(O)c(Br)c3)nc12

0.548

View
Cc1cc2nc(-c3ccc(O)c(Br)c3)[nH]c2cc1C

0.548

View
Cc1cc2nc(-c3ccc(O)c(Cl)c3)[nH]c2cc1C

0.548

View
Fc1cc(F)cc(-c2nc3ccccc3[nH]2)c1

0.541

View
Oc1c(Br)cc(-c2nc3ccccc3[nH]2)cc1Br

0.538

View
COc1cc(-c2nc3ccccc3[nH]2)cc(OC)c1O

0.537

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CCOc1ccc(-c2nc3ccccc3[nH]2)cc1OCC

0.537

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Cc1cc(-c2nc3ccc(F)cc3[nH]2)cc(C)c1O

0.537

View
COc1cc(-c2nc3c(C)cccc3[nH]2)ccc1O

0.535

View
Cc1cccc2[nH]c(-c3ccc(O)c(Cl)c3)nc12

0.535

View
Cc1ccc2nc(-c3ccc(O)c(Br)c3)[nH]c2c1

0.535

View
Cc1ccc2nc(-c3ccc(O)c(Cl)c3)[nH]c2c1

0.535

View
Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)ccc1O

0.531

View
Cc1cc(-c2noc(CCc3nc4ccccc4[nH]3)n2)ccc1O

0.531

View
Fc1ccc(-c2nc3ccccc3[nH]2)cc1

0.528

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Brc1cccc(-c2nc3ccccc3[nH]2)c1

0.526

View
FC(F)(F)c1ccc(-c2nc3ccccc3[nH]2)cc1

0.526

View
COc1cccc(-c2nc3ccccc3[nH]2)c1

0.525

View
Fc1ccc(-c2nc3ccccc3[nH]2)cc1Br

0.525

View
Cc1cc(-c2nc3ccccc3[nH]2)cs1

0.525

View
COc1ccc(-c2nc3ccccc3[nH]2)cc1F

0.524

View
COc1cc(-c2nc3ccccc3[nH]2)ccc1F

0.524

View
COc1ccc(-c2nc3ccccc3[nH]2)cc1Cl

0.524

View
CN(C)c1ccc(-c2nc3ccccc3[nH]2)cc1F

0.524

View
Cc1cc(-c2nc3cc(Cl)ccc3[nH]2)cc(C)c1O

0.524

View
Cc1cc(-c2nc3ccncc3[nH]2)cc(C)c1O

0.524

View
Cc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1C

0.523

View
Cc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc(C)c1O

0.523

View
COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1O

0.523

View
Cc1cc2nc(-c3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1C

0.522

View
Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1O

0.520

View
Cc1cc(-c2ccccc2)ccc1O

0.514

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Brc1ccc(-c2nc3ccccc3[nH]2)cc1

0.514

View
Clc1ccc(-c2nc3ccccc3[nH]2)cc1

0.514

View
Ic1ccc(-c2nc3ccccc3[nH]2)cc1

0.514

View
COc1ccc(-c2nc3ccccc3[nH]2)cc1

0.513

View
Clc1cccc(-c2nc3ccccc3[nH]2)c1

0.513

View
O=C(O)c1ccc(-c2nc3ccccc3[nH]2)cc1

0.513

View
CCc1ccc(-c2nc3ccccc3[nH]2)cc1

0.513

View
c1ccc2[nH]c(-c3ccc4c(c3)OCCO4)nc2c1

0.512

View
Cc1cc(F)ccc1-c1nc2ccccc2[nH]1

0.512

View
Cc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1C

0.512

View
COc1ccc(-c2nc3ccccc3[nH]2)cc1Br

0.512

View
COc1ccc2cc(-c3nc4ccccc4[nH]3)ccc2c1

0.512

View
CCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1O

0.511

View
COc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1O

0.511

View
COc1cc2nc(-c3ccc(O)c(OC)c3)[nH]c2cc1C

0.511

View
Cc1ccccc1CNCc1ccc(-c2nc3ccccc3[nH]2)cc1

0.511

View
Cc1cccc2[nH]c(-c3ccc(O)c([N+](=O)[O-])c3)nc12

0.511

View
Cc1ccc2nc(-c3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1

0.511

View
Cc1cc(-c2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)on1

0.511

View
Cc1cc(-c2noc(C(C)(C)Cc3nc4ccccc4[nH]3)n2)ccc1O

0.510

View
Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1O

0.500

View
Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)ccc1O

0.500

View
c1cnc2ccc(-c3nc4ccccc4[nH]3)cc2c1

0.500

View
CCOc1cc(-c2nc3ccccc3[nH]2)ccc1OC

0.500

View
COc1cc(OC)cc(-c2nc3ccccc3[nH]2)c1

0.500

View
COc1cc(-c2nc3ccccc3[nH]2)ccc1SC

0.500

View
c1ccc2[nH]c(-c3ccc4[nH]ncc4c3)nc2c1

0.500

View
c1ccc2[nH]c(-c3ccc4c(c3)COC4)nc2c1

0.500

View
CCOc1ccc(-c2nc3ccccc3[nH]2)cc1F

0.500

View
Cc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1F

0.500

View
Cc1cccc2[nH]c(-c3cccc(O)c3)nc12

0.500

View
Cc1cccc2[nH]c(-c3ccc([N+](=O)[O-])c(O)c3)nc12

0.500

View
c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1

0.200

View
CC(C)(C)c1cc(-c2nc3ccccc3[nH]2)c(O)c(-c2nc3ccccc3[nH]2)c1.Cl

0.199

View
CCOc1ccc(-c2nc3ccccc3[nH]2)cc1

0.194

View
CC(C)(C)c1cc(-c2nc3ccccc3[nH]2)c(O)c(-c2nc3ccccc3[nH]2)c1

0.193

View
Cc1ccc(-c2nc3ccccc3[nH]2)cc1C

0.185

View
c1cc(-c2nc3ccccc3[nH]2)cc(-c2nc3ccccc3[nH]2)c1

0.181

View
Oc1ccccc1-c1nc2ccccc2[nH]1

0.174

View
Cc1cccc(-c2nc3ccccc3[nH]2)c1

0.161

View
COc1ccc(-c2nc3ccccc3[nH]2)cc1.Cl

0.158

View
COc1ccc(-c2nc3ccccc3[nH]2)cc1

0.152

View
CC(C)(C)c1cc(-c2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O

0.121

View
Cl.Oc1ccc(-c2nc3ccccc3[nH]2)cc1

0.112

View
Oc1ccc(-c2nc3ccccc3[nH]2)cc1

0.105

View
Cc1ccc(O)c(-c2nc3ccccc3[nH]2)c1

0.091

View
C(NC1=CC=C(C2=NC3=C(C=CC=C3)N2)C=C1)(=O)COC1=CC=C(C)C=C1C

0.738

View
C1(OC2=CC=C(C3=NC4=C(C=CC=C4)N3)C=C2)=NC=CS1

0.732

View
C1(OC2=CC=C(C3=NC4=C(C=CC=C4)N3)C=C2)C=NSN=1

0.725

View
C1(OC2=CC=C(C3=NC4=C(C=CC=C4)N3)C=C2)=NN=CS1

0.722

View
C(NC1=CC=C(C2=NC3=C(C=CC=C3)N2)C=C1)(=O)C1C=CC(OC)=C(C)C=1

0.721

View


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