Molecule Details

O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCN(C(=O)CCl)CC1
Made
Molecular Properties
SMILES:
O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCN(C(=O)CCl)CC1
MW: 346.818
Fraction sp3: 0.35
HBA: 3
HBD: 2
Rotatable Bonds: 4
TPSA: 78.09
cLogP: 2.4926
Covalent Warhead: ✔️
Covalent Fragment:
Order Status
Shipped: 2020-04-27
CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC2CC1CN2C(=O)CCl

MAK-UNK-5d2caa6f-19
0.588

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O=C(Nc1cccc(C2=NN=C3CCCCC32)c1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-6
0.562

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CC(=O)c1cccc(NC(=O)C2CCN(C(=O)CCl)CC2)c1

LON-WEI-120e5cf5-19
0.558

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O=C(Nc1cccnc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-11
0.539

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O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-86
0.521

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O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-15
0.521

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O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-20
0.514

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CC(=O)c1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cc1

LON-WEI-120e5cf5-10
0.462

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

AAR-POS-f650c5f2-4
0.458

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

LON-WEI-120e5cf5-1
0.458

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

LON-WEI-120e5cf5-17
0.458

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

AAR-POS-5507155c-2
0.458

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COc1cc(NC(=O)C2CCN(C(=O)CCl)CC2)cc(OC)c1OC

LON-WEI-120e5cf5-3
0.457

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O=C(Nc1ccc2c(c1)[nH]c1ccccc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-9
0.451

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O=C(Nc1ccc(N2CCNC2=O)cc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-4
0.447

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Cc1cccnc1NC(=O)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-21
0.446

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Cc1ccnc(NC(=O)C2CCN(C(=O)CCl)CC2)c1

LON-WEI-120e5cf5-13
0.434

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O=C(Nc1ccccc1Br)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-16
0.432

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O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-6
0.425

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O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-15
0.425

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CCc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)nc1

MAK-UNK-c97f7c8f-2
0.422

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NCCC(CCl)C(=O)c1ccc2c(c1)[nH]c1cc(NC(=O)C3CCN(C(=O)CCl)CC3)ccc12

ASH-SAT-43770c7d-7
0.420

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O=C(Nc1cccc(-c2cc[nH]n2)c1)C(O)c1cccnc1

BAR-COM-4e090d3a-68
0.416

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Cc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)nc1

MAK-UNK-c97f7c8f-1
0.415

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O=C(Nc1cc(Cl)nc2ccccc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-14
0.400

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

LON-WEI-120e5cf5-7
0.400

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O=C(Nc1ccccc1Oc1ccccn1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-8
0.398

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O=C(Nc1ccn(-c2ccccc2)n1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-12
0.393

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O=C(Nc1ccccc1C1COC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-3
0.391

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O=C(Nc1ccccc1N1CCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-2
0.391

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O=C(Nc1c[nH]c2ccc(Br)cc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-18
0.387

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O=C(Nc1ccccc1OC1CS(=O)(=O)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-7
0.380

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O=C(Nc1ccccc1)C1CCN(C(=O)CB(O)O)CC1

JAG-SYN-9c2cd0bd-8
0.378

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NS(=O)(=O)c1ccc2cccc(NC(=O)C3CCN(C(=O)CCl)CC3)c2c1

MAK-UNK-69bf97dd-4
0.375

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CNC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-750cfbcc-2
0.375

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Cc1cccc(C(C)(C)CNC(=O)C2CCN(C(=O)CCl)CC2)c1

SAD-SAT-29425be4-20
0.367

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CC(C)(C)OC(=O)Cc1cccc(CNC(=O)C2CCN(C(=O)CCl)CC2)c1

SAD-SAT-29425be4-9
0.365

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O=C(OCc1ccccc1)c1ccc(CNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-29
0.365

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CC(C)(CNC(=O)C1CCN(C(=O)CCl)CC1)c1coc(-c2ccccc2)n1

SAD-SAT-29425be4-4
0.364

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O=C(Nc1ccccc1OCC1(c2ccccn2)CCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-9
0.363

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CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-8
0.360

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O=C(NC(Cc1cccc(Oc2ccccc2)c1)C(=O)O)C1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-1
0.360

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O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-17
0.356

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CC(C)(C)OC(=O)C(C)(NC(=O)C1CCN(C(=O)CCl)CC1)c1ccccc1

SAD-SAT-29425be4-23
0.355

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O=C(Nc1ccccc1OC1CCN(Cc2ccsc2)CC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-1
0.349

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O=C(Nc1cccc(C2=NN=C3CCCCC32)c1)C1CC2CC1CN2C(=O)CCl

MAK-UNK-5d2caa6f-18
0.349

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CC(C)(C)c1ccc(CNC(=O)C2CCN(C(=O)CCl)CC2)s1

SAD-SAT-29425be4-14
0.348

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O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-1
0.347

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O=C(c1cccc(F)c1)C1CCN(C(=O)CCl)CC1

BEN-DND-76ad4ac9-4
0.345

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O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-5
0.343

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Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-10
0.339

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Cc1cccc(NC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-1
0.337

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CC(C)c1ccc(CCCNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-15
0.337

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O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-9
0.337

View
CC(C)(C)c1cccc(C(NC(=O)C2CCN(C(=O)CCl)CC2)c2ccc(Cl)cc2)c1

SAD-SAT-29425be4-25
0.337

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O=C(NCc1ccccc1S(=O)(=O)N1CCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-8
0.333

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CC(C)Cc1ccc(C(NC(=O)C2CCN(C(=O)CCl)CC2)C(C)C)cc1

SAD-SAT-29425be4-13
0.333

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CC(C)COc1ccc(C(C)NC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-28
0.333

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O=C(NC1CCCC(C2CCCCC2)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-1
0.333

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Cc1ccc(SCCNC(=O)C2CCN(C(=O)CCl)CC2)cc1C

SAD-SAT-29425be4-3
0.330

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O=C(Nc1ccccc1)C1CCN(C(=O)C2CO2)CC1

JAG-SYN-9c2cd0bd-7
0.329

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O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-7
0.327

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

BEN-DND-031a96cc-3
0.326

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O=C(Nc1ccccc1)C1CCN(CCCl)CC1

JAG-SYN-9c2cd0bd-9
0.325

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C#CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1

JAG-SYN-9c2cd0bd-4
0.325

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

BEN-DND-031a96cc-1
0.323

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Cc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C)c2C)C(=O)C2CCN(C(=O)CCl)CC2)c1C

SAD-SAT-29425be4-5
0.323

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O=C(CN1CCN(C(=O)CCl)CC1)Nc1cccc(F)c1

MAR-TRE-6a44bbf2-3
0.322

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

MAK-UNK-a7992eb3-4
0.322

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C=CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1

JAG-SYN-9c2cd0bd-3
0.321

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CCCCc1ccc(C(NC(=O)C2CCN(C(=O)CCl)CC2)C(C)C)cc1

SAD-SAT-29425be4-12
0.320

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NC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-750cfbcc-1
0.319

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CC(=O)NC(Cc1ccc(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-3
0.319

View
CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-6
0.319

View
CN(C)c1ccc(C(CNC(=O)C2CCN(C(=O)CCl)CC2)N(C)C)cc1

SAD-SAT-29425be4-19
0.319

View
CC1C(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-5
0.318

View
CN(C(=O)C1CCN(C(=O)CCl)CC1)c1ccccc1

LON-WEI-120e5cf5-5
0.318

View
O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-6
0.317

View
COC(=O)C(C)(C)N(Cc1cccc(OC)c1OC)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-22
0.317

View
O=C(Nc1ccccc1OCC1CN(Cc2ccccc2)CCO1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-2
0.315

View
O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-10
0.311

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

SAD-SAT-29425be4-27
0.310

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)Oc1ccccc1NC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-6
0.310

View
O=C(Nc1ccccc1)C1CCN(C(=O)C(Cl)c2cccnc2)CC1

BEN-DND-031a96cc-2
0.309

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O=C(CCl)N1CCC(C(=O)N2CCNO2)CC1

MAK-UNK-704ed37c-5
0.309

View
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-3
0.307

View
N#Cc1cccc(NC(=O)N(c2cc(F)c(N3CCN(C(=O)CCl)CC3)c(F)c2)c2ncccn2)c1

NIM-UNI-310206f0-21
0.306

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O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cncnc1

MAR-TRE-9d18ae8c-34
0.306

View
O=C(CCl)N1CCC(C(=O)N2CNOC2)CC1

MAK-UNK-704ed37c-7
0.305

View
O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-2
0.305

View
Cc1cccc(COc2c(C)cc(CN(C)C(=O)C3CCN(C(=O)CCl)CC3)cc2C)c1

SAD-SAT-29425be4-18
0.302

View
O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1cncnc1

MAR-TRE-9d18ae8c-16
0.300

View
O=C(Nc1cccnc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1

MAR-TRE-3e4e6814-54
0.300

View
CC(c1cccc(Cl)c1)N(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-7
0.300

View
CC(=O)c1cccc(NC(=O)C2CC3CC2CN3C(=O)CCl)c1

MAK-UNK-90d0606b-8
0.299

View
O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAR-TRE-6a44bbf2-79
0.299

View
O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAK-UNK-750cfbcc-3
0.299

View
O=C(CCl)N1CCN(c2c(F)cc(N(C(=O)Nc3ccncc3)c3ncccn3)cc2F)CC1

NIM-UNI-310206f0-22
0.298

View
CCN(C(=O)C1CCN(C(=O)CCl)CC1)C(CF)c1ccccc1

YOI-UNK-12211982-6
0.298

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

MAK-UNK-5d2caa6f-1
0.298

View
O=C(Nc1ccccc1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.727

View
O=C(Nc1cccc(F)c1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.690

View
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.678

View
CCNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.672

View
N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)c1

0.667

View
O=C(O)C1CCC(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.667

View
O=C(O)[C@H]1CC[C@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.667

View
NC1CCC(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.667

View
N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.667

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCN(C(=O)[C@@H]2CCCN2)CC1

0.667

View
O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.661

View
NC[C@H]1CC[C@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.661

View
O=C(Nc1cccc(Br)c1)C1CCN(C(=O)CCl)CC1

0.660

View
O=C(NC1CC1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.655

View
CCCNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.650

View
CC(C)CNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.650

View
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.645

View
CONC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.644

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCCNCC1

0.643

View
O=C(NCC(F)(F)F)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.639

View
O=C(Nc1ccccc1O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.639

View
C#CCNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.639

View
CC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.632

View
C[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)CN1

0.632

View
O=C(O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.632

View
O=C(Nc1cccc(F)c1)C1CCN(C(=O)CCl)CC1

0.630

View
COCCNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.629

View
O=C(NCCCO)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.629

View
O=C(Nc1nncs1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.629

View
CCCCNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.629

View
CCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.629

View
CC(C)CNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.629

View
O=C(NC1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1)C1CC1

0.627

View
CCNCC1CCC(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.627

View
O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.625

View
O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.625

View
N[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1

0.625

View
O=C(NC1CCCCC1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.623

View
CCCCCNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.619

View
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.619

View
CN(C)CCNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.619

View
Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)cc1

0.619

View
N[C@H]1C[C@@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1

0.618

View
N[C@H]1C[C@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1

0.618

View
O=C(NCc1ccc(NC(=O)C2CC2)cc1)Nc1cccc(-c2cc[nH]n2)c1

0.617

View
O=C(NCCNC(=O)C1CC1)Nc1cccc(-c2cc[nH]n2)c1

0.614

View
NCC1CC(C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1

0.614

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@H]1CC[C@@H](C(=O)O)C1

0.614

View
CC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.610

View
O=C(O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1

0.610

View
CCCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.609

View
O=C(NNC(=O)C1CC1)Nc1cccc(-c2cc[nH]n2)c1

0.607

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC(F)CC1

0.607

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC(C2CC2)CC1

0.607

View
O=C(O)[C@H]1C[C@@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1

0.607

View
O=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1cccc(-c2cc[nH]n2)c1

0.607

View
O=C(CC1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1)N1CCCC1

0.607

View
O=C(NCc1cccc(NC(=O)C2CCCC2)c1)Nc1cccc(-c2cc[nH]n2)c1

0.607

View
O=C(Nc1cccc(F)c1)C1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1

0.607

View
CCC1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.603

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@H]1CCCNC1

0.603

View
N[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1

0.603

View
C[C@@H]1C[C@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)CCN1

0.603

View
COC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.600

View
O=C(c1ccccc1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.600

View
Cc1ccc(NC(=O)C2CCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)nc1

0.600

View
COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.600

View
COCCCNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.600

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC(C(=O)C(F)(F)F)CC1

0.600

View
CCOC(=O)CNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.600

View
NC1CC2(CCC(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)C1

0.600

View
O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1CCN(C(=O)COc2ccccc2)CC1

0.597

View
CCOC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.597

View
O=C(c1ccc(Cl)cc1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.597

View
O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)Nc1cccc(-c2cc[nH]n2)c1

0.597

View
CC1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.596

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CC[C@@H](F)C1

0.596

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CC[C@H](F)C1

0.596

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC(O)CC1

0.596

View
N#Cc1cccc(NC(=O)C2CCN(C(=O)CCl)CC2)c1

0.596

View
O=C(NCC(F)(F)F)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1

0.594

View
O=C(O)[C@H]1CCC[C@@H](C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1

0.593

View
CCC(=O)N1CCC(Nc2cccc(-c3cc[nH]n3)c2)CC1

0.593

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC(CO)CC1

0.593

View
O=C(NCCNC(=O)C1CCC1)Nc1cccc(-c2cc[nH]n2)c1

0.593

View
O=C(O)C1CCCC(C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1

0.593

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@H]1CCC[C@@H](C(=O)O)C1

0.593

View
CCN(CC)CCCNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.591

View
CCOCCCNC(=O)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.591

View
O=C(NCCc1cccs1)C1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.591

View
NC(=O)C1CCN(C(=O)C2CCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)CC1

0.590

View
CC1CCN(C(=O)C2CCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)CC1

0.590

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC(C(=O)N2CCCC2)C1

0.590

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1[C@H]2CNC[C@H]21

0.589

View
O=C(Nc1ccc(-c2cc[nH]n2)cc1)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1

0.587

View
O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1

0.586

View
O=C(NNC(=O)C1CCCC1)Nc1cccc(-c2cc[nH]n2)c1

0.586

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCN(C(=O)C2CC2)CC1

0.586

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC(c2ccccc2)CC1

0.586

View
O=C(CO)N1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1

0.586

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCCC1

0.197

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2cccc3ccccc23)CC1

0.196

View
CSc1ccc(CN2CCC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2)cc1

0.195

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccsc2)CC1

0.193

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccc(F)cc2)CC1

0.191

View
CC(=O)N1CCC(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1

0.190

View
CC(C)(C)C1CNC(=O)C1C(=O)Nc1cccc(-c2ccn[nH]2)c1

0.187

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(C(=O)C2CCCO2)CC1

0.185

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(C2CCSCC2)CC1

0.184

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(CC2CCOC2)CC1

0.183

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CC(=O)N(C2CCCC2)C1

0.180

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(C/C(Cl)=C/c2ccccc2)CC1

0.179

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2cncnc2)CC1

0.178

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCC1

0.176

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(C/C=C/c2ccccc2)CC1

0.167

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(C2CCOCC2)CC1

0.162

View
CSCCCN1CCC(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1

0.137

View
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(CCCC2CCCC2)CC1

0.127

View
CC(C)C(=O)N1CCC(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1

0.039

View
C(NC1=CC=CC(C2NN=CC=2)=C1)(=O)C1CCN(C(C)=O)CC1

0.964

View
C(NC1=CC=C(C2NN=CC=2)C=C1)(=O)C1CCN(C(C)=O)CC1

0.912

View
C(NC1=CC=CC(C2NN=CC=2)=C1)(=O)C1CCN(C)CC1

0.898

View
C(NC1=CC=CC(C2=NNC=C2)=C1)(=O)C1CCN(C(C(F)(F)F)=O)CC1

0.873

View
C(NC1=CC=CC(C2NN=CC=2)=C1)(=O)C1CCN(CC(F)F)CC1

0.869

View


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