Molecule Details

Molecular Properties
SMILES:
NC(=O)[C@@H]1CN(Cc2cccnc2)C[C@H]1c1ccccc1
MW: 281.359
Fraction sp3: 0.29
HBA: 3
HBD: 1
Rotatable Bonds: 4
TPSA: 59.22
cLogP: 1.7825
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: Z2330669633
MolPort: MolPort-047-320-747
Activity Data
Average Inhibition @ 50 µM - Fluorescence: -24.74737
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-03-31
Synthesis Location: enamine
Shipped: 2020-04-27
NC(=O)[C@H]1CN(Cc2ccncc2)C[C@H]1c1ccsc1

ANN-UNI-26382800-7
0.436

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C=CC(=O)N1CCN(Cc2cccnc2)CC1

SAD-SAT-b55127ae-4
0.384

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NC(=O)[C@@H]1CN(C2CCOCC2)C[C@H]1c1ccccc1

DUN-NEW-f8ce3686-1
0.364

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NC(=O)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(Br)c1

DAR-DIA-43a5904b-2
0.352

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NC(=O)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(I)c1

DAR-DIA-43a5904b-3
0.341

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NC(=O)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(C(F)(F)F)c1

DAR-DIA-43a5904b-4
0.341

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NC(=O)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(Cl)c1

DAR-DIA-43a5904b-1
0.337

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CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)[C@H]1Cc1cccnc1

JAV-UNI-4503e1e6-1
0.330

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NCc1cncc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1

RAI-NOV-2f6a9876-3
0.326

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O=C(Cc1cccnc1)NCc1ccccc1

NAU-LAT-64f4b287-9
0.324

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Cl[Au+]=c1n(Cc2cccnc2)ccn1Cc1cccnc1

MAR-TRE-d3c2bf0e-55
0.324

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O=C(NC1CC1)N(Cc1cccnc1)C(=O)c1ccccc1

MIC-SGC-657978c3-2
0.321

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O=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1Cc1cccnc1

DAV-CRI-1c77f7a9-1
0.319

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O=C(Cc1ccccc1)N(Cc1cccnc1)C(=O)NC1CC1

MIC-SGC-657978c3-1
0.318

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O=C(Nc1ccccc1)C1CC2CC1CN2C(=O)C(Cl)Cc1cccnc1

MAK-UNK-10799360-24
0.309

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Cn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cn1

RAI-NOV-2f6a9876-4
0.303

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NC(=O)C1CC2(CC3CC2N(C(=O)CCl)C3)CC1c1ccccc1

MAK-UNK-ec98eaf6-12
0.300

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CCc1nc(C)c(CC(=O)NC2CCCN(Cc3cccnc3)C2)c(=O)[nH]1

MAR-TRE-c8530538-63
0.294

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O=C(Cc1ccccc1)N(C(=O)NC1CC1)c1cccnc1

MIC-SGC-657978c3-7
0.294

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CC(=O)N1CCN(Cc2ccccc2)C2NC(=O)N(c3cccnc3)C21

NIM-UNI-36e12f95-2
0.292

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O=C(Cc1cccnc1)N(C1CCC(O)CC1)C1(c2ccccc2)CCCCC1

WAR-XCH-b0339bbe-21
0.292

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NC(=O)C1CC2(CCCN(C(=O)CCl)C2)CC1c1ccccc1

MED-COV-4280ac29-27
0.289

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NC(=O)Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21

MAR-TRE-d0525fbf-73
0.289

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

DAR-DIA-53551c05-5
0.287

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O=C(CCl)N1C2CC(c3ccccc3)(c3ccccc32)C1Cc1cccnc1

MAK-UNK-ec98eaf6-26
0.286

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

MAR-TRE-74c6519b-47
0.286

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O=C(NCc1cccnc1)[C@H]1CCC[C@H]1c1ccsc1

ANT-DIA-045cfdc4-5
0.286

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O=C(Nc1ccccc1)C1CCN(C(=O)C(Cl)Cc2cccnc2)CC1

BEN-DND-031a96cc-1
0.284

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NC(=O)C1CC(c2ccnc(Cl)c2NC(=O)CCl)CC1c1ccccc1

MED-COV-4280ac29-20
0.284

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O=C(S)C1CCN(Cc2ccccc2)CC1

GIA-UNK-5ec6c2b8-3
0.284

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CCc1c(C)nc2n(c1=O)CN(Cc1cccnc1)CN2c1ccc(F)cc1

MAT-POS-b5746674-127
0.283

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NC(=O)[C@H]1C(O)C(Cc2cccnc2)=C[C@H]1c1cccc(Cl)c1

DAR-DIA-43a5904b-5
0.283

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NC(=O)[C@H]1[C@@H](c2cccc(Cl)c2)C=C(Cc2cccnc2)[C@@H]1O

DAR-DIA-43a5904b-6
0.283

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CN1CCCCCCN(Cc2cccnc2)[C@H]2CCC[C@H]2C1=O

MAT-POS-ea426761-26
0.283

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NC(=O)C1CCN(C/C=C(\C(=O)Nc2ccccc2)c2cccnc2)CC1

BEN-DND-031a96cc-7
0.281

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O=C(NCC1CC1)N(Cc1cccnc1)C(=O)c1ccccc1

MIC-SGC-657978c3-4
0.281

View
O=c1c2ncccc2n(Cc2ccccc2)c(=O)n1Cc1cccnc1

MAR-TRE-04c86cea-50
0.281

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O=C(CN(C(=O)Nc1ccccc1)c1cccnc1)NC1CC1

SIM-SYN-a98e6a07-2
0.281

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O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1cccnc1

MAK-UNK-009ebe36-8
0.280

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CN1C(=O)C[C@@H](C(=O)Nc2cccnc2)[C@@H]1c1ccccc1

MAR-TRE-74c6519b-51
0.278

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O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NCc1ccccc1

MAR-TRE-b77b7921-46
0.277

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O=C(Cc1ccccc1)Nc1cccnc1

SAN-PRS-52b81272-2
0.276

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Cn1cc(CNC(=O)N(CCc2ccccc2)Cc2cccnc2)nn1

BAR-COM-4e090d3a-47
0.276

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O=C(Cc1ccccc1)N(Cc1cccnc1)C(=O)NCC1CC1

MIC-SGC-657978c3-3
0.275

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O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1Cc1cccnc1

MIH-UNI-e573136b-3
0.275

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O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11
0.274

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CS(=O)(=O)NCCc1cccnc1

ANT-DIA-b7f58f21-1
0.274

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O=C(C[C@H](NCc1cccnc1)C(=O)O)Nc1cccnc1

MAR-TRE-d0525fbf-91
0.274

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C=CC(=O)NC(C(=O)NCc1ccccc1)c1cccnc1

NIM-UNI-bb9030bf-1
0.273

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O=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1C#Cc1cccnc1

DAV-CRI-1c77f7a9-3
0.273

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C=CC(=O)N(C(C(=O)NC(C)(C)C)c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1

LON-WEI-adc59df6-62
0.273

View
C=CC(=O)N(C(C(=O)NC(C)(C)C)c1cccnc1)[C@@H]1C[C@H]1c1ccccc1

LON-WEI-adc59df6-63
0.273

View
C=CC(=O)N(C(C(=O)NC(C)(C)C)c1cccnc1)C1CC1c1ccccc1

LON-WEI-adc59df6-71
0.273

View
O=C(Nc1ccccc1)C1CCN(C(=O)C2OC2c2cccnc2)CC1

BEN-DND-031a96cc-3
0.272

View
O=C(CC1(S(=O)(=O)NCCc2ccccc2)CCCCC1)Nc1cccnc1

MAK-UNK-b2c98f02-6
0.271

View
O=C(Nc1cccnc1)N(Cc1ccccc1)c1ccccc1

WIL-UNI-5578df48-3
0.271

View
O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.270

View
O=C(CC1CCCCC1S(=O)(=O)NCCc1ccccc1)Nc1cccnc1

MAK-UNK-b2c98f02-7
0.270

View
NCCNC(=O)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(Cl)c1

DAR-DIA-43a5904b-13
0.270

View
O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NCCc1ccccc1

MAR-TRE-b77b7921-25
0.269

View
O=C(CN(Cc1cccnc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOCC1

SCO-CSI-e30c12ee-1
0.269

View
N#Cc1ccccc1NC(=O)Cc1cccnc1

ANT-DIA-3c79be55-2
0.268

View
O=C(c1cnccn1)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-11
0.267

View
O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NC1CCCC1

MAR-TRE-b77b7921-13
0.267

View
O=C(CCl)Nc1nc(=O)n(Cc2ccccc2)cc1-c1cccnc1

MED-COV-4280ac29-28
0.266

View
O=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1Nc1cccnc1

DAV-CRI-1c77f7a9-2
0.265

View
O=C1C(c2cccc(Cl)c2)N(Cc2ccccc2)CCN1c1cccnc1

ERI-UCB-ce40166b-24
0.265

View
O=C(Nc1ccccc1)C1CC2CC1CN2C(=O)C(Cl)c1cccnc1

MAK-UNK-10799360-25
0.265

View
CNCC1CC1(C(=O)Nc1cccnc1)c1ccccc1

ADA-UNI-f8e79267-6
0.264

View
Cc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3cccnc3)C2=O)c(C)c1

JAG-UCB-1d922829-2
0.263

View
O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NC1CCCCC1

MAR-TRE-04c86cea-8
0.262

View
O=C(Nc1ccccc1)N(Cc1ccccc1)c1cccnc1

WIL-UNI-5578df48-8
0.262

View
O=C(NC1CC1)N(C(=O)c1ccccc1)c1cccnc1

MIC-SGC-657978c3-8
0.262

View
O=C1C(c2ccccc2)C=CCN1c1cccnc1

DAR-DIA-fc970077-12
0.262

View
NC(=O)C1CCCN1CC(=O)Nc1cccnc1

NAU-LAT-64f4b287-10
0.261

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1c1ccccc1

DAN-LON-a5fc619e-5
0.261

View
CS(=O)(=O)NCC1CC1(C(=O)Nc1cccnc1)c1ccccc1

ADA-UNI-f8e79267-3
0.261

View
Cc1ccccc1C1c2ccccc2CN(C(=O)CCl)C1Cc1cccnc1

DAV-CRI-1c77f7a9-5
0.260

View
O=C(CCl)N1Cc2ccccc2C(c2cccc(Cl)c2)C1Cc1cccnc1

DAV-CRI-1c77f7a9-4
0.260

View
CC(C)CCNC(=O)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(Cl)c1

DAR-DIA-43a5904b-14
0.260

View
CC(=O)N1CCN(Cc2ccc3nc(C(N)=O)ccc3c2Br)C[C@@H](c2cccnc2)C1

KEI-UNI-85a52787-8
0.259

View
CC(CCc1cccnc1)NC(=O)c1cncnc1

MAR-TRE-4f781e27-29
0.259

View
O=C1C(c2ccccc2)CCCN1c1cccnc1

DAR-DIA-fc970077-7
0.259

View
O=C1C(c2ccccc2)OCCN1c1cccnc1

DAR-DIA-fc970077-8
0.259

View
O=C(Nc1ccccc1Cc1cccnc1)c1cncnc1

MAR-TRE-9d18ae8c-35
0.258

View
O=C(Nc1cccnc1)Nc1cccc(CN2CCCC(O)C2)c1

WIL-UNI-5578df48-30
0.258

View
CN1CCN(Cc2cccc(CNC(=O)Nc3cccnc3)c2)CC1

SAD-SAT-135344c3-9
0.258

View
CCc1ccc(CN(Cc2cccnc2)C(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-27
0.258

View
O=C(CCl)N1Cc2ccccc2C(c2ccc(F)cc2)C1Cc1cccnc1

DAV-CRI-1c77f7a9-8
0.257

View
NCCCCNC(=O)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(Cl)c1

DAR-DIA-43a5904b-12
0.257

View
O=C(CCl)N1CCN(Cc2cnc(-c3ccccc3)nc2)CC1

MAK-UNK-af83ef51-1
0.256

View
O=C(NC(=O)C1CNCC1c1ccccc1)c1cncnc1

MAR-TRE-92684b97-38
0.256

View
NC(N)=NCCN(C(=O)Nc1cccnc1)c1ccccc1

EMI-TUK-a58865cc-6
0.256

View
O=C(Nc1cccnc1)C1CC2CC1CN2C(=O)CCl

MAK-UNK-5d2caa6f-1
0.256

View
O=C(Cc1ccccc1)N(C(=O)NCC1CC1)c1cccnc1

MIC-SGC-657978c3-5
0.256

View
Cc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3cccnc3)C2=O)cc1C

JAG-UCB-1d922829-1
0.255

View
Cc1nc(C2Nc3ccccc3C(=O)N2Cc2cccnc2)cs1

AUS-ARG-7cfdce8f-8
0.255

View
O=C(Nc1cccnc1)C1C(c2ccccc2)c2ccccc2CN1C(=O)CCl

DAV-CRI-1c77f7a9-6
0.255

View
O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1c1cccnc1

MIH-UNI-e573136b-2
0.255

View
N[C@H]1CCn2ncc(C(=O)N3C[C@@H](c4ccccc4)[C@@H]4CCC[C@H]43)c2C1

RAI-NOV-2f6a9876-2
0.255

View
NC(=O)[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

1.000

View
O=C(O)[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.817

View
O=C(O)[C@@H]1CN(CC2=CC=CN=C2)C[C@@H]1C1=CC=CC=C1

0.817

View
COC(=O)[C@@H]1CN(CC2=CC=CN=C2)C[C@@H]1C1=CC=CC=C1

0.716

View
COC(=O)[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.716

View
NC(=O)[C@@H]1CN(CC2=CN(CC3=CC=CN=C3)N=N2)C[C@H]1C1=CC=CC=C1

0.716

View
NC(=O)[C@@H]1CN(CC2=CN=CN=C2)C[C@H]1C1=CC=CC=C1

0.703

View
NC(=O)[C@@H]1CN(CC2=CC=C(OCC3=CC=CN=C3)C=C2)C[C@H]1C1=CC=CC=C1

0.693

View
CN1C=C([C@@H]2CN(CC3=CC=CN=C3)C[C@H]2C(N)=O)C=N1

0.691

View
NC(=O)[C@@H]1CN(CC2=CC=NC=C2)C[C@H]1C1=CC=CC=C1

0.677

View
CC1=CC=C(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)C=N1

0.676

View
CC(C)(C)OC(=O)[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.676

View
NC(=O)[C@@H]1CN(CC2=CC=C(O)N=C2)C[C@H]1C1=CC=CC=C1

0.672

View
NC(=O)[C@@H]1CN(CCC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.667

View
NC(=O)[C@@H]1CN(CC2=CC=C(Br)N=C2)C[C@H]1C1=CC=CC=C1

0.662

View
NC(=O)[C@@H]1CN(CN2CCN(CC3=CC=CN=C3)C2=O)C[C@H]1C1=CC=CC=C1

0.653

View
NC(=O)[C@@H]1CN(CC2=CC=C(Cl)N=C2)C[C@H]1C1=CC=CC=C1

0.652

View
NC(=O)[C@@H]1CN(CC2=CC=C(F)N=C2)C[C@H]1C1=CC=CC=C1

0.652

View
NC(=O)[C@@H]1CN(CC2=CN=CC(Br)=C2)C[C@H]1C1=CC=CC=C1

0.643

View
CC1=CN=CC(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)=C1

0.643

View
NC(=O)[C@@H]1CN(CC2=CN=CC(F)=C2)C[C@H]1C1=CC=CC=C1

0.634

View
CN(C)C1=CC=C(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)C=N1

0.634

View
COC1=CC=C(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)C=N1

0.634

View
NC(=O)[C@@H]1CN(CC2=C[NH]N=C2)C[C@H]1C1=CC=CC=C1

0.632

View
NC(=O)[C@@H]1CN(CC2=CC=NC(N)=C2)C[C@H]1C1=CC=CC=C1

0.629

View
NC(=O)[C@@H]1CN(CC2=CC(F)=CC(F)=C2)C[C@H]1C1=CC=CC=C1

0.627

View
NC(=O)[C@@H]1CN(CC2=CC=C(CF)C=C2)C[C@H]1C1=CC=CC=C1

0.627

View
NC(=O)[C@@H]1CN(CC2=CC=CC=C2OCC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.625

View
CC1=NC=C(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)C=N1

0.623

View
CN1C=C(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)C=N1

0.623

View
NC(=O)[C@@H]1CN(CC2=CC(Cl)=NC(Cl)=C2)C[C@H]1C1=CC=CC=C1

0.623

View
O=C(O)[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=C(Br)C=C1

0.623

View
CN(C)C1=NC=C(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)C=N1

0.620

View
O[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.615

View
NC(=O)[C@@H]1CN(CC2=CN=CC=N2)C[C@H]1C1=CC=CC=C1

0.614

View
O=C(O)[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=C(F)C=C1

0.614

View
NC(=O)[C@@H]1CN(CC2=CC=C(Cl)C=C2)C[C@H]1C1=CC=CC=C1

0.612

View
NC(=O)[C@@H]1CN(CC2=CC=C(Br)C=C2)C[C@H]1C1=CC=CC=C1

0.612

View
NC(=O)[C@@H]1CN(CC2=CC=C(CO)C=C2)C[C@H]1C1=CC=CC=C1

0.612

View
NC(=O)[C@@H]1CN(CC2=CC=NC(Cl)=C2)C[C@H]1C1=CC=CC=C1

0.611

View
N#CC1=CC(CN2C[C@@H](C(N)=O)[C@H](C3=CC=CC=C3)C2)=CN=C1

0.608

View
NC(=O)[C@@H]1CN(C(=O)C2CCCN(CC3=CC=CN=C3)C2)C[C@H]1C1=CC=CC=C1

0.608

View
N[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.606

View
CCC1=NC=C(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)C=N1

0.606

View
NC(=O)[C@@H]1CN(CC2=CC=C(OCC3=CC=CC=C3)N=C2)C[C@H]1C1=CC=CC=C1

0.605

View
NC(=O)[C@@H]1CN(CC2=CC=C(F)C=C2)C[C@H]1C1=CC=CC=C1

0.603

View
NC(=O)C1=CC=C(CN2C[C@@H](C(N)=O)[C@H](C3=CC=CC=C3)C2)C=C1

0.603

View
CCC1=CC=C(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)C=C1

0.603

View
CC1=CC=C(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)C=C1

0.603

View
NC(=O)[C@@H]1CN(CC2=CC=C(N3C=CN=C3)N=C2)C[C@H]1C1=CC=CC=C1

0.603

View
COC1=CN=CC(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)=C1

0.600

View
CC1=CN=CC(C)=C1CN1C[C@H](C2=CC=CC=C2)[C@@H](C(N)=O)C1

0.600

View
NC(=O)[C@@H]1CN(CC2=C(Cl)C=NC=C2Cl)C[C@H]1C1=CC=CC=C1

0.600

View
NC(=O)[C@@H]1CN(CC2=CC=CC(O)=C2)C[C@H]1C1=CC=CC=C1

0.600

View
NC(=O)[C@@H]1CN(CC2=CC=C(N3C=CC=N3)N=C2)C[C@H]1C1=CC=CC=C1

0.597

View
CC1=CC=NC=C1CN1C[C@H](C2=CC=CC=C2)[C@@H](C(N)=O)C1

0.597

View
NC(=O)[C@@H]1CN(CC2=CN=C(C3CC3)N=C2)C[C@H]1C1=CC=CC=C1

0.597

View
NC(=O)[C@@H]1CN(CC2=CC=NC(Br)=C2)C[C@H]1C1=CC=CC=C1

0.597

View
CC(C)(C)C1=NC=C(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)C=N1

0.597

View
NC(=O)[C@@H]1CN(CC2=CC=C(N3CCCC3)N=C2)C[C@H]1C1=CC=CC=C1

0.592

View
NC(=O)[C@@H]1CN(CC2=CC=CC(F)=C2)C[C@H]1C1=CC=CC=C1

0.592

View
NC(=O)[C@@H]1CN(CC2=CC=CC(Cl)=C2)C[C@H]1C1=CC=CC=C1

0.592

View
CCC1=CC=CC(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)=C1

0.592

View
NC(=O)[C@@H]1CN(CC2=CC=NC=C2Cl)C[C@H]1C1=CC=CC=C1

0.589

View
CC1=CN=CC=C1CN1C[C@H](C2=CC=CC=C2)[C@@H](C(N)=O)C1

0.589

View
NC(=O)[C@@H]1CN(CC2=CC=NC=C2F)C[C@H]1C1=CC=CC=C1

0.589

View
C=CN1C=C(CN2C[C@@H](C(N)=O)[C@H](C3=CC=CC=C3)C2)C=N1

0.589

View
CC1=CC(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)=CC=N1

0.589

View
NC(=O)[C@@H]1CN(CC2=CN(CC3=CC=CC=C3)N=C2)C[C@H]1C1=CC=CC=C1

0.587

View
C#CC1=CC=C(CN2C[C@@H](C(N)=O)[C@H](C3=CC=CC=C3)C2)C=C1

0.586

View
COC(=O)C1=CN=CC(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)=C1

0.584

View
CCOC1=CN=CC(CN2C[C@H](C3=CC=CC=C3)[C@@H](C(N)=O)C2)=C1

0.584

View
NC(=O)C1=CC(CN2C[C@@H](C(N)=O)[C@H](C3=CC=CC=C3)C2)=CC=C1

0.583

View
F[C@@H]1CN(CC2=CC=CN=C2)C[C@@H]1C1=CC=CC=C1

0.582

View
O=C(O)[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=CC(F)=C1

0.581

View
NC(=O)[C@@H]1CN(CC2=CC=CC=N2)C[C@H]1C1=CC=CC=C1

0.580

View
NC[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.580

View
NC(=O)[C@@H]1CN(CC2=CC=CN=C2N)C[C@H]1C1=CC=CC=C1

0.569

View
NC(=O)[C@@H]1CN(CC2=CN=CC(OCC3=CC=CC=C3)=C2)C[C@H]1C1=CC=CC=C1

0.568

View
NC(=O)[C@@H]1CN(CC2=CN=C(C3=CC=CN=C3)S2)C[C@H]1C1=CC=CC=C1

0.568

View
NC(=O)[C@@H]1CN(CC(=O)NC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.566

View
NC(=O)[C@@H]1CN(CC2=CC=C3N=CC=NC3=C2)C[C@H]1C1=CC=CC=C1

0.566

View
O=C(O)[C@@H]1CN(CCC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.563

View
O=C(O)[C@@H]1CN(CCC2=CC=CN=C2)C[C@@H]1C1=CC=CC=C1

0.563

View
NC(=O)[C@@H]1CN(CC2=C[NH]N=C2C2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.561

View
NC(=O)[C@@H]1CN(CC2=NC(C3=CC=CN=C3)=NO2)C[C@H]1C1=CC=CC=C1

0.561

View
NC(=O)[C@@H]1CN(CC(O)C2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.560

View
NC(=O)[C@@H]1CN(CC2=CC=CC(CN3CCCCC3)=C2)C[C@H]1C1=CC=CC=C1

0.560

View
CC1=CC=CN=C1CN1C[C@H](C2=CC=CC=C2)[C@@H](C(N)=O)C1

0.554

View
NC(=O)[C@@H]1CN(C(=O)NCC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.547

View
COC(=O)[C@@H]1CN(CC2=CC=CN=C2)C[C@H]1C1=CC=C(F)C=C1

0.532

View
NC(=O)[C@@H]1CN(C(=O)CSCC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.526

View
NC(=O)[C@@H]1CN(C(=O)CCCC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.526

View
NC(=O)[C@@H]1CN(C(=O)NCCC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.526

View
NC(=O)[C@@H]1CN(CCC(=O)NC2=CC=CN=C2)C[C@H]1C1=CC=CC=C1

0.525

View
NC(=O)[C@@H]1CN(CCC2=CC=NC=C2)C[C@H]1C1=CC=CC=C1

0.521

View
NC(=O)[C@@H]1CN(CCC2=CN=CC=N2)C[C@H]1C1=CC=CC=C1

0.506

View
O=C(OCC1=CC=CN=C1)[C@@H]1CN(CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1

0.494

View
O=C(NCC1=CC=CN=C1)[C@@H]1CN(CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1

0.476

View
O=C(NCCC1=CC=CN=C1)[C@@H]1CN(CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1

0.455

View
NC(=O)[C@@H]1CN(Cc2cccnc2)C[C@H]1c1ccccc1

1.000

View
NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1

0.689

View
O=C(NCc1cccnc1)C1CN(CC1c1ccccc1)C(=O)C1CCCC1

0.430

View
CC(C)CC(=O)N1CC(C(C1)c1ccccc1)C(=O)NCc1cccnc1

0.425

View
C(NC1C(C2=CC=CC=C2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.476

View
N1(CC2=CC=CN=C2)CC(C2=CC=CC=C2)CC1

0.465

View
C(N1C(=O)CC(C2=CC=CC=C2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.464

View
C(N1CCC(C2=CC=CC=C2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.463

View
C(N1CCC(C2=CC=CC=C2)CC1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.463

View
C(N1CCCC(C2=CC=CC=C2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.452

View
C(N1CCCCC(C2=CC=CC=C2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.447

View
C(NCC1C(C2=CC=CC=C2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.442

View
C(N1CC(CN2CC(C3=CC=CC=C3)CC2)CC1=O)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.406

View
C(N1CC(CN2CC(C3=CC=CC=C3)CC2)CCC1=O)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.402

View
C(N1C(=O)CC(C2=CC=C(Br)C=C2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.385

View
C(N(C(CCN1CC(C2=CC=CC=C2)CC1)=O)CCC1=CC=CC=C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.373

View
C(NCCC(C)C1=CC=CC=C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.371

View
C(NCC1(C2=CC=CC=C2)CCC1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.371

View
C(N1CCC(C2=CC=C(OC)C=C2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.370

View
C(NCC(C)C1=CC=CC=C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.368

View
C(N1CCC(C2=CC=C(F)C=C2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.367

View
C(N1CCC(C2C=CC=C(F)C=2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.366

View
C(NCC1C2=C(C=CC=C2)C1)(=O)C1CCN(CC2=CC=CN=C2)CC1

0.337

View
C(N(CC1=CC=C(F)N=C1)CCC(C)C1=CC=CC=C1)(=O)C1CN(CCC2=CC=CC=C2)C(=O)C1

0.169

View


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