Molecule Details

O=C(Cc1cncc2ccccc12)Nc1ccccc1
3-aminopyridine-like Enamine MolPort Assayed
View on Fragalysis x2563
Molecular Properties
SMILES:
O=C(Cc1cncc2ccccc12)Nc1ccccc1
MW: 262.312
Fraction sp3: 0.06
HBA: 2
HBD: 1
Rotatable Bonds: 3
TPSA: 41.99
cLogP: 3.416
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z4444622066
Enamine REAL: s_22____57709____11968302
Enamine Extended REAL: s_22____57709____11968302
MolPort: MolPort-047-338-957
Activity Data
IC50 (µM) - Fluorescence: 57.4696696866732
IC50 (µM) - RapidFire: 45.0774692062389
Trypsin IC50 (µM): 99.0
pIC50 (µM) - Fluorescence 4.24056129901503
Average Inhibition @ 20 µM - Fluorescence: 31.64337
Average Inhibition @ 50 µM - Fluorescence: 57.79387
Average Inhibition @ 20 µM - RapidFire: 27.82
Average Inhibition @ 50 µM - RapidFire: 62.475
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 0.98
Order Status
Ordered: 2020-03-31
Synthesis Location: enamine
Shipped: 2020-04-17
N#Cc1cccc(NC(=O)Cc2cncc3ccccc23)c1

DAR-DIA-23aa0b97-19
0.642

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O=C(Cc1cncc2ccccc12)Nc1cccc(Oc2cccnc2)c1

ERI-UCB-ce40166b-4
0.573

View
O=C(Cc1cncc2ccccc12)Nc1cccc(OC2CC(=O)N2)c1

ERI-UCB-ce40166b-1
0.551

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O=C(Cc1cncc2ccccc12)Nc1cccc(Oc2cccc(=O)[nH]2)c1

ERI-UCB-ce40166b-3
0.537

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O=C(Cc1cncc2ccccc12)Nc1cc(Cl)cc(Oc2cccnc2)c1

ERI-UCB-ce40166b-8
0.532

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O=C(Cc1cncc2ccccc12)Nc1cccc(OC2CCC(=O)N2)c1

ERI-UCB-ce40166b-2
0.524

View
COc1cccc(Oc2cc(Cl)cc(NC(=O)Cc3cncc4ccccc34)c2)n1

MAT-POS-6344a35d-1
0.512

View
N#Cc1cc(NC(=O)Cc2cncc3ccccc23)cc(Oc2cccnc2)c1

ERI-UCB-ce40166b-12
0.506

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O=C(Cc1cncc2ccccc12)Nc1cc(Cl)cc(OC2CC(=O)N2)c1

ERI-UCB-ce40166b-5
0.500

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O=C(Cc1cncc2ccccc12)Nc1cc(Cl)cc(Oc2cccc(=O)[nH]2)c1

ERI-UCB-ce40166b-7
0.494

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N#Cc1cc(NC(=O)Cc2cncc3ccccc23)cc(OC2CC(=O)N2)c1

ERI-UCB-ce40166b-9
0.494

View
O=C(Cc1cncc2ccccc12)Nc1cc(Cl)cc(OC2CCC(=O)N2)c1

ERI-UCB-ce40166b-6
0.483

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N#Cc1cc(NC(=O)Cc2cncc3ccccc23)cc(OC2CCC(=O)N2)c1

ERI-UCB-ce40166b-10
0.477

View
N#Cc1cc(NC(=O)Cc2cncc3ccccc23)cc(Oc2cccc(=O)[nH]2)c1

ERI-UCB-ce40166b-11
0.472

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O=C(Cc1cncc2cnccc12)Nc1cccc(Cl)c1

BEN-DND-61647d40-15
0.432

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O=C(Cc1cncc2ccncc12)Nc1cccc(Cl)c1

BEN-DND-61647d40-16
0.427

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NCCc1ccncc1CC(=O)Nc1ccccc1

DAR-DIA-03336633-15
0.420

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

MIC-UNK-d36ab305-3
0.419

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O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1

CUN-WAB-25b584ee-2
0.412

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N#Cc1cncc(NC(=O)Cc2cncc3cnccc23)c1

BEN-DND-61647d40-5
0.380

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

DAR-DIA-53551c05-6
0.378

View
O=C(CC(=O)Nc1ccncc1)Nc1ccccc1

GIA-UNK-3f36037a-7
0.377

View
O=C(CCl)Nc1ccccc1

SAD-SAT-6b5a89f0-8
0.375

View
N#Cc1cncc(NC(=O)Cc2cncc3ccncc23)c1

BEN-DND-61647d40-6
0.375

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

MIC-UNK-d36ab305-6
0.372

View
O=C(Cc1cccc(Cl)c1)Nc1cncc2ccccc12

ADA-UCB-6c2cb422-1
0.364

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C=CC(=O)Nc1cncc2ccccc12

LON-WEI-af038623-3
0.364

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COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12

MAT-POS-3b92565d-1
0.361

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O=C(Cc1cccc(Br)c1)Nc1cncc2ccccc12

PET-UNK-c9c1e0d8-1
0.359

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N#CCSCC(=O)Nc1ccccc1

MAR-TRE-14ce9fd6-61
0.354

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

DAR-DIA-53551c05-10
0.346

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N#Cc1cccc(NC(=O)C(=O)c2cncc3ccccc23)c1

MAK-UNK-6ca90168-25
0.346

View
N#Cc1cccc(NC(=O)Cc2cncc3ncccc23)c1

DAR-DIA-23aa0b97-18
0.345

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C#Cc1cccc(CC(=O)Nc2cncc3ccccc23)c1

PET-UNK-c9c1e0d8-2
0.341

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O=C(Cc1cnccc1CCNC(=O)NC1CCCCC1)Nc1ccccc1

DAR-DIA-03336633-2
0.341

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O=C(CNC(=O)c1cncnc1)Nc1ccccc1

MAR-TRE-4f781e27-49
0.338

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Cc1c(N)cncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-8
0.338

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O=C(CCc1cccc(Cl)c1)Nc1cncc2ccccc12

ALP-POS-f13221e1-3
0.333

View
COc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1

ALP-POS-3b848b35-1
0.333

View
COc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1

MAT-POS-3b92565d-2
0.333

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Cc1ccc2occ(CC(=O)Nc3cncc4ccccc34)c2c1

BAR-COM-0f94fc3d-47
0.330

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O=C(Cc1cccc(C2(F)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-48
0.329

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CC1(c2cccc(CC(=O)Nc3cncc4ccccc34)c2)CC1

DAR-DIA-0cde14eb-46
0.329

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O=C(Cc1cccc(C2(Cl)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-47
0.326

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O=C(Cc1cccc(C2(I)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-49
0.326

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O=C(Cc1cnc(O)c2ccccc12)Nc1cccc(Cl)c1

MIC-UNK-66895286-5
0.325

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O=C(Cc1ccccc1)Nc1cccnc1

SAN-PRS-52b81272-2
0.324

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O=C(CN1CCNCC1)Nc1ccccc1

WIL-LEE-23e8b574-6
0.324

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Cn1ccc2ccc(CC(=O)Nc3cncc4ccccc34)cc21

ALP-POS-f13221e1-1
0.322

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O=C(Cc1cc(Cl)cc(Oc2cccnc2)c1)Nc1cncc2ccccc12

MAT-POS-9ff17035-3
0.319

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N#CC1(c2cccc(CC(=O)Nc3cncc4ccccc34)c2)CC1

DAR-DIA-0cde14eb-59
0.315

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O=C(Nc1cccc(C2(I)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-53
0.314

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O=C(C[C@H](NCc1ccccc1)C(=O)O)Nc1cccnc1

MAR-TRE-74c6519b-47
0.312

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O=C(Nc1ccccc1)Nc1cncc2[nH]ncc12

SID-ELM-2583a2cd-10
0.312

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O=C(Cc1ccccc1C(=O)O)Nc1cccnc1

MAK-UNK-a7b37c5e-2
0.311

View
O=C(CC(=O)N1CCOCC1)Nc1ccccc1

GIA-UNK-3f36037a-2
0.310

View
O=C(CC(c1ccccc1)c1ccccc1)Nc1cccnc1

AUS-ARG-7cfdce8f-11
0.310

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O=C(COc1cccc(Cl)c1)Nc1cncc2ccccc12

ALP-POS-f13221e1-2
0.310

View
O=C(Nc1ccccc1)Nc1cncc2ncccc12

SID-ELM-2583a2cd-20
0.308

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

DAR-DIA-53551c05-12
0.308

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Cc1ncncc1NC(=O)Nc1ccccc1

HAN-NEW-5f56c3bc-1
0.306

View
O=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12

MAT-POS-3cc264b0-1
0.305

View
O=C(Nc1cncc2ccccc12)Oc1cccc(Cl)c1

ALP-POS-ddb41b15-6
0.305

View
O=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12

EDJ-MED-50fe53e8-1
0.305

View
O=C(CCl)CNC(=O)CC(=O)Nc1ccccc1

GIA-UNK-3f36037a-4
0.304

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Nc1cncc(NC(=O)Nc2ccccc2)c1

SID-ELM-2583a2cd-5
0.304

View
O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11
0.303

View
CC1(c2cccc(NC(=O)Nc3cncc4ccccc34)c2)CC1

DAR-DIA-0cde14eb-50
0.302

View
O=C(Cc1ccccc1Cl)Nc1cccnc1

MAK-UNK-a7b37c5e-1
0.301

View
O=C(Cc1nnc(O)c2ccccc12)Nc1cccnc1

MAR-TRE-74c6519b-55
0.300

View
O=C(Nc1ccccc1)c1ccccc1

CHR-SOS-7098f804-9
0.300

View
CNc1cncc(NC(=O)Nc2ccccc2)c1

SID-ELM-2583a2cd-6
0.300

View
O=C(Cc1cc(Cl)cc(Oc2cccc(=O)[nH]2)c1)Nc1cncc2ccccc12

MAT-POS-9ff17035-2
0.299

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O=C(Nc1cccc(C2(Cl)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-51
0.299

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O=C(Nc1cccc(C2(F)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-52
0.299

View
CN(C(=O)Cc1cccc(Cl)c1)c1cncc2ccccc12

MAT-POS-bb423b95-7
0.298

View
Cc1c(N)cncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-2
0.297

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O=C(Nc1ccccc1)c1ccccc1O

CLI-UNI-032f7715-2
0.297

View
O=C(Nc1ccccc1)Nc1cncc2ncncc12

SID-ELM-2583a2cd-17
0.295

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O=C(Nc1ccccc1)Nc1cncc2[nH]ccc12

SID-ELM-2583a2cd-8
0.295

View
O=C(Cc1c[nH]c2ncccc12)Nc1cccnc1

KAL-WAB-eb347ebe-1
0.295

View
N#CC1(c2cccc(NC(=O)Nc3cncc4ccccc34)c2)CC1

DAR-DIA-0cde14eb-54
0.292

View
Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.292

View
Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.292

View
CN(C)c1cncc(NC(=O)Nc2ccccc2)c1

SID-ELM-2583a2cd-7
0.292

View
N#Cc1cccnc1SCC(=O)Nc1ccccc1

MAR-TRE-1c920f6f-42
0.291

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

MIC-UNK-d36ab305-1
0.290

View
C=CC(=O)N(Cc1ccccc1Cl)C(C(=O)NC)c1cncc2ccccc12

NIR-WEI-f9286bb6-1
0.290

View
O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cncc2ccccc12

ALP-POS-3b848b35-2
0.289

View
O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cncc2ccccc12

MAT-POS-3b92565d-3
0.289

View
O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cncc2ccccc12

EDJ-MED-7320d5d2-1
0.289

View
Cc1ccncc1NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1

ANU-UNK-2781581f-1
0.287

View
Cc1ccncc1NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1

RED-SAT-26a928c9-1
0.287

View
O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cncnc2)c1

MAR-TRE-9d18ae8c-52
0.282

View
CC(=O)Nc1cnccc1-c1cncc(NC(=O)Nc2ccccc2)c1

MAK-UNK-129dcd6f-7
0.282

View
Cc1ccncc1CC(=O)Nc1cccc(Cl)c1

EDJ-MED-49816e9b-1
0.282

View
C=C(C(=O)Nc1ccccc1)c1cccnc1

BEN-DND-031a96cc-8
0.282

View
O=C(CCl)N1CCN(C(=O)Nc2ccccc2)CC1

AHN-SAT-de2502ba-7
0.282

View
O=C(Cc1cccnc1)NCc1ccccc1

NAU-LAT-64f4b287-9
0.282

View
CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-55
0.281

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=CC=C1

0.656

View
O=C(CN1CCN(CC2=CN=CC3=CC=CC=C23)CC1)NC1=CC=CC=C1

0.586

View
O=C(CCC1=CN=CC2=CC=CC=C12)NCC(=O)NC1=CC=CC=C1

0.580

View
O=C(COC(=O)CCC1=CN=CC2=CC=CC=C12)NC1=CC=CC=C1

0.577

View
CC(CC1=CN=CC2=CC=CC=C12)C(=O)NCC(=O)NC1=CC=CC=C1

0.563

View
O=C(CCC1=CN=CC2=CC=CC=C12)NCCC(=O)NC1=CC=CC=C1

0.556

View
O=C(CCCCCNCC1=CN=CC2=CC=CC=C12)NC1=CC=CC=C1

0.554

View
O=C(CC1=NOC(CCC2=CN=CC3=CC=CC=C23)=N1)NC1=CC=CC=C1

0.553

View
CC(CC1=CN=CC2=CC=CC=C12)C(=O)NC1=CC=CC=C1

0.552

View
CC(C)(NCC1=CN=CC2=CC=CC=C12)C(=O)NC1=CC=CC=C1

0.551

View
O=C(CC1=CC=CC2=CC=CC=C12)NC1=CC=CC=C1

0.550

View
CC(CC1=CN=CC2=CC=CC=C12)C(=O)OCC(=O)NC1=CC=CC=C1

0.548

View
CC(CC(=O)NC1=CC=CC=C1)NC(=O)C(C)CC1=CN=CC2=CC=CC=C12

0.547

View
O=C(COC(=O)C1=CN=CC2=CC=CC=C12)NC1=CC=CC=C1

0.536

View
O=C(CCC1=CN=CC2=CC=CC=C12)NNC(=O)NC1=CC=CC=C1

0.535

View
CC(CC1=CN=CC2=CC=CC=C12)C(=O)NCCC(=O)NC1=CC=CC=C1

0.533

View
O=C(CN1CCN(C(=O)CCC2=CN=CC3=CC=CC=C23)CC1)NC1=CC=CC=C1

0.532

View
CC(CC1=CN=CC2=CC=CC=C12)C1=NC(CC(=O)NC2=CC=CC=C2)=NO1

0.532

View
C1=CC=C(NCC2=CN=CC3=CC=CC=C23)C=C1

0.525

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(Cl)C=C1

0.514

View
O=C(CNC(=O)C1=CN=CC2=CC=CC=C12)NC1=CC=CC=C1

0.514

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=NC=C1

0.507

View
O=C(CCC1=CN=CC2=CC=CC=C12)NNC1=CC=CC=C1

0.507

View
CC(=O)NC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.507

View
O=C(CNCC1=CN=CC2=CC=CC=C12)NC1=CC=C(Cl)C=C1

0.507

View
CC(NC(=O)CCC1=CN=CC2=CC=CC=C12)C(=O)NC1=CC=CC=C1

0.507

View
CC(C)(NC(=O)CCC1=CN=CC2=CC=CC=C12)C(=O)NC1=CC=CC=C1

0.507

View
O=C(CCC1=CN=CC2=CC=CC=C12)NCCCCCC(=O)NC1=CC=CC=C1

0.506

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(Br)C=C1

0.500

View
CC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.500

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(I)C=C1

0.500

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(O)C=C1

0.500

View
O=C(NC1=CC=CC=C1)C1=CN=CC2=CC=CC=C12

0.500

View
NC(=O)C1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.500

View
O=C(CCNC(=O)C1=CN=CC2=CC=CC=C12)NC1=CC=CC=C1

0.493

View
O=C(CNCC1=CN=CC2=CC=CC=C12)NC1=CC=C(Br)C=C1

0.493

View
CC(C)C1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.493

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=CN=C1

0.493

View
CCC(=O)NC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.493

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(F)C=C1

0.493

View
NC(=O)NC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.493

View
O=C(CC1=NOC(C2=CN=CC3=CC=CC=C23)=N1)NC1=CC=CC=C1

0.487

View
O=C(CNCC1=CN=CC2=CC=CC=C12)NC1=CC=C(F)C=C1

0.486

View
O=C(CNCC1=CN=CC2=CC=CC=C12)NC1=CC=C(I)C=C1

0.486

View
CC(C)CC(=O)NC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.486

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CN=CN=C1

0.486

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(C2CC2)C=C1

0.480

View
CC(=O)C1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.479

View
CCC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.479

View
COC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.479

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2)C=C1

0.475

View
N#CC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.473

View
O=C(CNC(=O)C(=O)NC1=CN=CC2=CC=CC=C12)NC1=CC=CC=C1

0.473

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC(I)=CC=C1

0.473

View
CC1=CC=CC(NC(=O)CCC2=CN=CC3=CC=CC=C23)=C1

0.473

View
CC(=O)NC1=CC=CC(NC(=O)CCC2=CN=CC3=CC=CC=C23)=C1

0.473

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(C(F)(F)F)C=C1

0.473

View
CSC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.473

View
CN(C)C1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.473

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC(O)=CC=C1

0.473

View
COC(=O)NC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.473

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(CCO)C=C1

0.473

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CSC=C1

0.472

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CN=C(C2=CC=CC=C2)N=C1

0.468

View
NC(=O)CC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.467

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC(Br)=CC=C1

0.467

View
COCC(=O)NC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.467

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(S(=O)(=O)F)C=C1

0.467

View
CNC(=O)CC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.467

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC(Cl)=CC=C1

0.467

View
CS(=O)(=O)C1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.467

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(NC(=O)CC(F)(F)F)C=C1

0.467

View
NS(=O)(=O)C1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.467

View
NC(=O)NC1=CC=CC(NC(=O)CCC2=CN=CC3=CC=CC=C23)=C1

0.467

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC(F)=CC=C1

0.467

View
CCCC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.467

View
CN(C)CCC(=O)NC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.467

View
O=C(NC1=CC=CC=C1)C(=O)NC1=CN=CC2=CC=CC=C12

0.463

View
CS(=O)(=O)NC1=CC=C(NC(=O)CCC2=CN=CC3=CC=CC=C23)C=C1

0.461

View
O=C(CC1=CN=CC=C1Cl)NC1=CC=CC=C1

0.453

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(OC(F)F)C=C1

0.449

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C2C=CC=CC2=C1

0.447

View
O=C(CC1=CC=CC2=CC=CC=C12)NC1=CC=NC=C1

0.441

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=CC(CS(=O)(=O)CC2=CC=CC=C2)=C1

0.435

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1

0.435

View
O=C(CC1=CC=CC2=CC=CC=C12)NC1=CN=CC2=CC=CC=C12

0.431

View
O=C(CC1=CC=CC2=CC=CC=C12)NC1=CC(Br)=CN=C1

0.425

View
O=C(CC1=CC=CC2=CC=CC=C12)NC1=CC=CN=C1

0.423

View
O=C(CCC1=CN=CC2=CC=CC=C12)NC1=CC=C(CN2C(=O)CCC2=O)C=C1

0.417

View
O=C(CC1=CC=CC2=CC=CC=C12)NC1=CN=CN=C1

0.414

View
O=C(CC1=CC=CC=C1CO)NC1=CN=CC2=CC=CC=C12

0.408

View
CC1=CN=CC(NC(=O)CC2=CC=CC3=CC=CC=C23)=C1

0.405

View
CCC1=CC=CC=C1CC(=O)NC1=CN=CC2=CC=CC=C12

0.403

View
O=C(CC1=CC=CC2=CC=CC=C12)NC1=CC(F)=CN=C1

0.400

View
O=C(CC1=CC=CC=C1Cl)NC1=CN=CC2=CC=CC=C12

0.397

View
O=C(CC1=CC=CC=C1Br)NC1=CN=CC2=CC=CC=C12

0.397

View
O=C(CC1=CC=CC=C1F)NC1=CN=CC2=CC=CC=C12

0.397

View
CC1=CC=CC=C1CC(=O)NC1=CN=CC2=CC=CC=C12

0.397

View
O=C(CC1=CC=CC=C1I)NC1=CN=CC2=CC=CC=C12

0.397

View
O=C(CC1=CC=CC=C1[N+](=O)[O-])NC1=CN=CC2=CC=CC=C12

0.390

View
O=C(Cc1cncc2ccccc12)Nc1ccccc1

1.000

View
O=C(Cc1cncc2ccccc12)Nc1cccc(c1)C#N

0.642

View
O=C(Cc1cccc2cccnc12)Nc1ccccc1

0.420

View
O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1

0.412

View
Cc1ccccc1NC(=O)Cc1cccc2cccnc12

0.226

View
CN(C(=O)Cc1cccc2cccnc12)c1ccccc1

0.205

View
C(NC1C=CC2=C(C=NC=C2)C=1)(CC1=CC=CC=C1)=O

0.839

View
C(NC1C=CC2=C(C=NC=C2)C=1)(=O)CC1C2C(=CC=CC=2)C=CC=1

0.837

View
C(NC1C=CC2=C(C=NC=C2)C=1)(=O)CC1=CC=CN=C1

0.831

View
C(NC1=CC=CC=C1)(=O)CC1C2=C(C=CC=C2)NC=1

0.825

View
C(NC1C=CC2=C(C=NC=C2)C=1)(=O)CC1C=CC2=C(C=CC=C2)C=1

0.821

View


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