Molecule Details

CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cccc12
piperazine-chloroacetamide Assayed
View on Fragalysis x10506
Molecular Properties
SMILES:
CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cccc12
MW: 376.888
Fraction sp3: 0.47
HBA: 3
HBD: 2
Rotatable Bonds: 6
TPSA: 68.44
cLogP: 1.7295
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Activity Data
IC50 (µM) - Fluorescence: 17.3608297519836
IC50 (µM) - RapidFire: 11.5067799814366
pIC50 (µM) - Fluorescence 4.76042952178072
Average Inhibition @ 20 µM - Fluorescence: 62.807815
Average Inhibition @ 50 µM - Fluorescence: 85.67826
Average Inhibition @ 50 µM - RapidFire: 100.0
Relative Solubility @ 20 µM: 0.95
Relative Solubility @ 100 µM: 0.95
Order Status
Ordered: 2020-04-17
Synthesis Location: enamine
Shipped: 2020-06-16
CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

VIR-GIT-7b3d3065-3

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CC(=O)NCCc1c[nH]c2c(CN3CCN(C(C)=O)CC3)cccc12

PAT-UNK-b2d83456-4
0.831

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C=CC(=O)N1CCN(Cc2cccc3c(CCNC(C)=O)c[nH]c23)CC1

JAN-GHE-6413aaf8-5
0.766

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CC(=O)NCCc1c[nH]c2c(CN3CCC(O)CC3)cccc12

DUN-NEW-f8ce3686-11
0.692

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CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(Cl)cc12

DAR-DIA-fb20be43-15
0.639

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CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

STU-CHA-bc0a9883-1
0.639

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CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

DAR-DIA-fb20be43-11
0.639

View
CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

JOK-SYG-302da050-1
0.639

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CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

NAU-LAT-f723e322-1
0.639

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CC(=O)NCCc1c[nH]c2c(CNC(=O)CCl)cccc12

DUN-NEW-f8ce3686-21
0.632

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COc1cc(CN2CCN(C(=O)CCl)CC2)c2[nH]cc(CCNC(C)=O)c2c1

DAR-DIA-fb20be43-14
0.616

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CNCc1cc(CN2CCN(C(=O)CCl)CC2)c2[nH]cc(CCNC(C)=O)c2c1

JOK-SYG-b9f02a42-1
0.616

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CNCCc1cc(CN2CCN(C(=O)CCl)CC2)c2[nH]cc(CCNC(C)=O)c2c1

JOK-SYG-b9f02a42-2
0.602

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COCCc1cc(CN2CCN(C(=O)CCl)CC2)c2[nH]cc(CCNC(C)=O)c2c1

JOK-SYG-b9f02a42-3
0.596

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CC(=O)NCCc1c[nH]c2c(CN3CC4CC3CN4C(=O)CCl)cccc12

MAK-UNK-ec98eaf6-47
0.578

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C=CC(=O)N1CCN(Cc2cccc3c(CCNC(=O)CCCN(C)C)c[nH]c23)CC1

JAN-GHE-6413aaf8-8
0.576

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C=CC(=O)N1CCN(Cc2cccc3c(CCNS(C)(=O)=O)c[nH]c23)CC1

JAN-GHE-6413aaf8-7
0.575

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C=CC(=O)N1CCN(Cc2cccc3c(CCNC(=O)c4ccc[nH]4)c[nH]c23)CC1

JAN-GHE-6413aaf8-1
0.565

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CC(=O)NCCc1cn(C)c2c(CN3CCN(C(=O)CCl)CC3)cccc12

TAM-UNI-d1c3dd9f-20
0.558

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C=CC(=O)N1CCN(Cc2cccc3c(CCNC(=O)[C@@H]4CCCN4)c[nH]c23)CC1

JAN-GHE-6413aaf8-6
0.542

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CC(=O)NCCc1c[nH]c2c(C(c3ccccc3)N3CCN(C(=O)CCl)CC3)cccc12

MED-COV-4280ac29-21
0.538

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CC(=O)NCCc1c[nH]c2c(CCCC3CN(C(=O)CCl)CCN3C(C)=O)cccc12

HAN-NEW-5f56c3bc-4
0.536

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CC(=O)NCCc1c[nH]c2c(C(CCc3ccccc3)N3CCN(C(=O)CCl)CC3)cccc12

PAU-WEI-b9b69149-7
0.520

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CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cccc12

DUN-NEW-f8ce3686-10
0.512

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CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cccc12

ELE-IMP-dfb36048-2
0.512

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CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cccc12

CAL-AMP-9edebd8f-1
0.512

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CC(=O)NCCc1c[nH]c2c(C(c3ccc(Br)s3)N3CCN(C(=O)CCl)CC3)cccc12

PAU-WEI-f734c343-1
0.510

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CC(=O)NCCc1c[nH]c2c(C(CCc3ccc(C)cc3)N3CCN(C(=O)CCl)CC3)cccc12

PAU-WEI-b9b69149-8
0.510

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CC(=O)NCCc1c[nH]c2c(CN3CCN(C(C)=O)CC3)cc(C#N)cc12

JOH-MSK-d60b0211-1
0.506

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CC(=O)NCCc1c[nH]c2c(CN3CCN(C(C)=O)CC3)cc(C#N)cc12

PAT-UNK-b2d83456-5
0.506

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CC(=O)NCCc1c[nH]c2c(C(CCc3ccc(C(F)(F)F)cc3)N3CCN(C(=O)CCl)CC3)cccc12

PAU-WEI-b9b69149-9
0.490

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CC(=O)NCCc1c[nH]c2c(CC3CCN(C(=O)CCl)CC3)cc(F)cc12

NIR-THE-0d6461ce-2
0.484

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C=CC(=O)N1CCN(Cc2cccc3c(CC(N)=O)c[nH]c23)CC1

JAN-GHE-6413aaf8-9
0.483

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CC(=O)NCCc1c[nH]c2c(NC3CCN(C(=O)CCl)CC3)cc(F)cc12

NIR-THE-0d6461ce-3
0.479

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CC(=O)NCCc1c[nH]c2c(C(=O)N3CCN(C(=O)CCl)CC3)cc(F)cc12

NAU-LAT-81109c57-6
0.478

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CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)C#N)CC3)cc(F)cc12

NAU-LAT-f723e322-2
0.473

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C=CC(=O)N1C[C@@H]2CN(Cc3cccc4c(CCNC(=O)c5ccc[nH]5)c[nH]c34)C[C@@H]2C1

JAN-GHE-6413aaf8-4
0.456

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CC(=O)NCCc1cn(C)c2cc(CN3CCN(C(=O)CCl)CC3)ccc12

TAM-UNI-d1c3dd9f-19
0.447

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CC(=O)NCCc1c[nH]c2c(CN3CCNCC3)cc(F)cc12

MAK-UNK-be5ffcbc-2
0.444

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O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

MED-COV-4280ac29-31
0.434

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O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

AAR-POS-d2a4d1df-40
0.434

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C=CC(=O)NC1CN(Cc2cccc3c(CCNC(=O)c4ccc[nH]4)c[nH]c23)C1

JAN-GHE-6413aaf8-3
0.427

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CC(=O)NCCc1c[nH]c2c(N3CCCC3C(N)=O)cccc12

TAM-UNI-c140e31a-16
0.426

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CC(=O)NCCc1c[nH]c2c(CN3CCOCC3)cc(F)cc12

MAK-UNK-be5ffcbc-4
0.424

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C=CC(=O)N1CC(NCc2cccc3c(CCNC(=O)c4ccc[nH]4)c[nH]c23)C1

JAN-GHE-6413aaf8-2
0.423

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CC(=O)NCCc1c[nH]c2c(CN3CCC(O)CC3)cc(F)cc12

SAM-UNK-903735bd-1
0.419

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NS(=O)(=O)Cc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

JOK-SYG-302da050-2
0.415

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Cc1ccccc1CN1CCN(C(=O)CCl)CC1

MAK-UNK-7c9d1431-20
0.412

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CCNc1ccccc1CN1CCN(C(=O)CCl)CC1

SEL-UNI-cd366922-6
0.412

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CC(=O)NCCc1c[nH]c2c(C(CCc3ccccc3)N3CC4CC3CN4C(=O)CCl)cccc12

MAK-UNK-ec98eaf6-54
0.405

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CNC(=O)Cc1c(C)cccc1CN1CCN(C(=O)CCl)CC1

STE-UNK-13e151dd-1
0.404

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CC(=O)NCCC1=CCc2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc21

DAR-DIA-fb20be43-10
0.402

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CC(=O)NCCc1c[nH]c2c(C(CCc3ccc(C)cc3)N3CC4CC3CN4C(=O)CCl)cccc12

MAK-UNK-ec98eaf6-55
0.402

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NS(=O)(=O)Cc1nc2cccc(CN3CCN(C(=O)CCl)CC3)c2[nH]1

STU-CHA-0f79177c-1
0.400

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CC(=O)Nc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

TAM-UNI-d1c3dd9f-18
0.400

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CC(=O)NCCc1c[nH]c2c(C(c3ccccc3)N3CC4CC3CN4C(=O)CCl)cccc12

MAK-UNK-ec98eaf6-8
0.398

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CC(=O)NCCc1c[nH]c2c(C3CN(C(=O)CCl)Cc4ccccc43)c(F)ccc12

NIR-THE-c331be7a-3
0.394

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COc1cc(CN2CCN(C(=O)CCl)CC2)c2c(c1)C(CCNC(C)=O)=CC2

DAR-DIA-fb20be43-13
0.394

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CC(=O)NCCC1=CNc2cc(CN3CCN(C(=O)CCl)CC3)ccc2C1

SEL-UNI-cd366922-8
0.394

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CC(=O)NCCc1c[nH]c2c([C@@H]3CN(C(=O)CCl)Cc4ccccc43)cc(F)cc12

DAR-DIA-caba39e3-6
0.393

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CNC(=O)C(NCCNC(C)=O)c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-176ca439-2
0.392

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CC(=O)NCCc1c[nH]c2c(C34CC(c5ccccc53)N(C(=O)CCl)C4)c(F)ccc12

MAK-UNK-ec98eaf6-41
0.391

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NS(=O)(=O)CCc1ccccc1CN1CCN(C(=O)CCl)CC1

MIH-UNI-e573136b-5
0.391

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CC(=O)NCCc1c[nH]c2c(CC3CC4CC3CN4C(=O)CCl)cc(F)cc12

MAK-UNK-ec98eaf6-33
0.386

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CC(=O)NCCc1c[nH]c2c(C(CCc3ccc(C(F)(F)F)cc3)N3CC4CC3CN4C(=O)CCl)cccc12

MAK-UNK-ec98eaf6-56
0.385

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CC(=O)NCCc1c[nH]c2c([C@@H]3CN(C(=O)CCl)Cc4ccccc43)cc(Cl)cc12

DAR-DIA-caba39e3-5
0.380

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CC(=O)NCCc1c[nH]c2ccccc12

SAN-PRS-3c4a6997-2
0.378

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CS(=O)(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cccc12

ELE-IMP-dfb36048-5
0.378

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NS(=O)(=O)c1ccc2cccc(CN3CCN(C(=O)CCl)CC3)c2c1

MIH-UNI-e573136b-4
0.376

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CCC(=O)N1CCN(Cc2cc(F)cc3c(CC)c[nH]c23)CC1

BEN-VAN-d8fd1356-22
0.374

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O=C(CCl)N1CCN(Cc2cc(O)ccc2O)CC1

NEH-REV-107bcf72-5
0.373

View
Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1CC(NC(=O)CS(N)(=O)=O)C(C)O

MAK-UNK-af83ef51-15
0.373

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CC(=O)N1CCCc2cccc(CN3CCN(C(=O)CCl)CC3)c2C1

TAM-UNI-d1c3dd9f-13
0.372

View
CC(=O)NCCc1c[nH]c2c(NC3CC4CC3CN4C(=O)CCl)cc(F)cc12

MAK-UNK-ec98eaf6-34
0.371

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12

ELE-IMP-dfb36048-1
0.370

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12

TAM-UNI-c140e31a-15
0.370

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12

SAM-UNK-903735bd-2
0.370

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12

SIM-DEM-265738e1-1
0.370

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(Cl)cc12

ROB-UNI-b2e39629-4
0.370

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(Cl)cc12

BEN-DND-362d364a-8
0.370

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12

PET-SGC-f818f65b-1
0.370

View
COc1cc([C@@H]2CN(C(=O)CCl)Cc3ccccc32)c2[nH]cc(CCNC(C)=O)c2c1

DAR-DIA-caba39e3-4
0.369

View
Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1C(=O)N1CCC(O)CC1

MAK-UNK-e4a48a85-26
0.368

View
NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cccc2c1

DAR-DIA-fb20be43-9
0.368

View
CC(=O)NCCc1cccc(CN2CCN(C(C)=O)CC2)c1

WIL-LEE-23e8b574-3
0.368

View
CC(=O)NCCc1c[nH]c2c(C(=O)O)cc(F)cc12

MAK-UNK-be5ffcbc-9
0.368

View
Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

AAR-POS-d2a4d1df-41
0.368

View
Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

TAT-ENA-80bfd3e5-20
0.368

View
O=C(CCl)N1CCN(Cc2cc(F)cc3ccccc23)CC1

DAR-DIA-fb20be43-2
0.367

View
COc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

DAR-DIA-fb20be43-7
0.366

View
CCNc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-3
0.366

View
O=C1NCCCc2cccc(CN3CCN(C(=O)CCl)CC3)c21

TAM-UNI-d1c3dd9f-15
0.365

View
NS(=O)(=O)CCNc1ncccc1CN1CCN(C(=O)CCl)CC1

STU-CHA-464c0256-1
0.365

View
CC(=O)NCCc1c[nH]c2c(CC(=O)Nc3ccncc3)cc(F)cc12

TAM-UNI-c140e31a-2
0.364

View
CC(=O)NCCc1c[nH]c2c(N3CCN(C(=O)Cc4c[nH]c5ncccc45)CC3)cc(F)cc12

MAK-UNK-10572812-12
0.363

View
O=C(CCl)N1CCN(Cc2cc(Cl)cc3ccccc23)CC1

PAU-UNI-19862c28-1
0.363

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COCCc1ccc(Cl)cc1CN1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-37
0.363

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O=C(CCl)N1CCN(Cc2cc(Cl)cc3ccccc23)CC1

DAR-DIA-fb20be43-8
0.363

View
Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

AAR-POS-d2a4d1df-24
0.361

View
CC(=O)NCCc1ccc(CN2CCN(C(C)=O)CC2)cc1

WIL-LEE-23e8b574-2
0.361

View
CN(C)Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

JOK-SYG-18591e8f-1
0.360

View
CCc1cccc2c(CCNC(C)=O)c[nH]c12

0.604

View
Cc1ccccc1CN1CCN(C(=O)NCCc2c[nH]c3c(C)cccc23)CC1

0.600

View
CCc1cccc2c(CCNC(=O)Nc3ccccc3CN3CCN(C(C)=O)CC3)c[nH]c12

0.585

View
CCc1cccc2c(CCNC(=O)NCCC(=O)N3CCN(C(C)=O)CC3)c[nH]c12

0.581

View
CCc1cccc2c(CCNC(=O)C(=O)NCCC(=O)N3CCN(C(C)=O)CC3)c[nH]c12

0.581

View
Cc1ccccc1CN1CCN(C(=O)C(=O)NCCc2c[nH]c3c(C)cccc23)CC1

0.581

View
CC(=O)NCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1

0.579

View
CC(=O)NCCC(=O)N1CCN(Cc2cccc3cc[nH]c23)CC1

0.576

View
CCc1cccc2c(CCNC(=O)N3CCN(Cc4ccccc4OC)CC3)c[nH]c12

0.569

View
CCc1cccc2c(CCNC(=O)N3CCN(CC)CC3)c[nH]c12

0.567

View
CCC(=O)N1CCN(C(=O)NCCc2c[nH]c3c(CC)cccc23)CC1

0.567

View
CCc1cccc2c(CCNC(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)c[nH]c12

0.562

View
CCc1cccc2c(CCNC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c[nH]c12

0.562

View
Cc1ccccc1CN1CCCN(C(=O)NCCc2c[nH]c3c(C)cccc23)CC1

0.562

View
CCc1cccc2c(CCNC(=O)NCCNC(C)=O)c[nH]c12

0.561

View
CC(=O)N1CCN(Cc2ccccc2NC(=O)NCCc2c[nH]c3c(C)cccc23)CC1

0.561

View
CC(=O)NCCc1c[nH]c2c(C)cccc12

0.556

View
CCc1cccc2c(CCNC(=O)NCCC(=O)N3CCN(C)CC3)c[nH]c12

0.556

View
O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

0.556

View
CCc1cccc2c(CCNC(=O)C(=O)NCCC(=O)N3CCN(C)CC3)c[nH]c12

0.556

View
CCc1cccc2c(CCNC(=O)N3CCN(Cc4ccncc4)CC3)c[nH]c12

0.554

View
CCc1cccc2c(CCNC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c[nH]c12

0.554

View
CCc1cccc2c(CCNC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)c[nH]c12

0.554

View
CCc1cccc2c(CCNC(=O)N3CCCN(Cc4ccccc4)CC3)c[nH]c12

0.554

View
CC(=O)NCCC(=O)N1CCN(Cc2ccccc2Cl)CC1

0.554

View
CCc1cccc2c(CCNC(=O)CCl)c[nH]c12

0.554

View
CCc1cccc2c(CCNC(=O)C(=O)N3CCN(Cc4ccccc4OC)CC3)c[nH]c12

0.552

View
Cc1ccccc1CN1CCN(C(=O)CCc2c[nH]c3c(C)cccc23)CC1

0.550

View
CCc1cccc2c(CCNC(=O)NCCC(=O)N3CCCC3)c[nH]c12

0.548

View
CCc1cccc2c(CCNC(=O)C(=O)NCCC(=O)N3CCCC3)c[nH]c12

0.548

View
CCc1cccc2c(CCNC(=O)C(=O)N3CCN(CC)CC3)c[nH]c12

0.548

View
CCC(=O)N1CCN(C(=O)C(=O)NCCc2c[nH]c3c(CC)cccc23)CC1

0.548

View
CCc1cccc2c(CCNC(=O)N3CCN(C(=O)CN4CCCC4)CC3)c[nH]c12

0.547

View
CCc1cccc2c(CCNC(=O)N3CCN(Cc4cccs4)CC3)c[nH]c12

0.545

View
CCc1cccc2c(CCNC(=O)N3CCN(Cc4ccco4)CC3)c[nH]c12

0.545

View
COc1ccccc1CN1CCN(C(=O)NCCc2c[nH]c3c(C)cccc23)CC1

0.545

View
CCc1cccc2c(CCNC(=O)C(=O)N3CCN(CC(=O)N4CCCC4)CC3)c[nH]c12

0.545

View
Cc1ccccc1CN1CCCN(C(=O)C(=O)NCCc2c[nH]c3c(C)cccc23)CC1

0.545

View
CCc1cccc2c(CCNC(=O)CCC(=O)NCCNC(C)=O)c[nH]c12

0.542

View
CCc1cccc2c(CCNC(=O)NCCCNC(C)=O)c[nH]c12

0.542

View
CCc1cccc2c(CCNC(=O)CCNC(C)=O)c[nH]c12

0.542

View
CCc1cccc2c(CCNC(=O)C(=O)NCCCNC(C)=O)c[nH]c12

0.542

View
CC(=O)NCCNC(=O)CCC(=O)N1CCN(Cc2cccc3cc[nH]c23)CC1

0.540

View
CCc1cccc2c(CCNC(=O)NCCC(=O)N3CCCCC3)c[nH]c12

0.540

View
CC(=O)N1CCN(C(=O)CCNC(=O)NCCc2c[nH]c3c(C)cccc23)CC1

0.540

View
CCC(=O)N1CCCN(C(=O)NCCc2c[nH]c3c(CC)cccc23)CC1

0.540

View
CCc1cccc2c(CCNC(=O)NCCC(=O)N3CCCCCC3)c[nH]c12

0.540

View
CCc1cccc2c(CCNC(=O)C(=O)NCCC(=O)N3CCCCCC3)c[nH]c12

0.540

View
CCc1cccc2c(CCNC(=O)C(=O)NCCC(=O)N3CCCCC3)c[nH]c12

0.540

View
CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)NCCc2c[nH]c3c(C)cccc23)CC1

0.540

View
CCc1cccc2c(CCNC(=O)NCc3ccccc3CN3CCN(C)CC3)c[nH]c12

0.538

View
CCc1cccc2c(CCNC(=O)CCC(=O)N3CCN(c4ccccc4)CC3)c[nH]c12

0.538

View
CCc1cccc2c(CCNC(=O)N3CCN(CCOC)CC3)c[nH]c12

0.538

View
CCc1cccc2c(CCNC(=O)N3CCN(C(=O)Cc4ccccc4F)CC3)c[nH]c12

0.538

View
CC(=O)NCC(=O)N1CCCN(C(=O)NCCc2c[nH]c3c(C)cccc23)CC1

0.538

View
CCc1cccc2c(CCNC(=O)N3CCN(Cc4ccsc4)CC3)c[nH]c12

0.537

View
CCc1cccc2c(CCNC(=O)N3CCN(Cc4ccccn4)CC3)c[nH]c12

0.537

View
CCc1cccc2c(CCNC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)c[nH]c12

0.537

View
CCc1cccc2c(CCNC(=O)C(=O)N3CCCN(Cc4ccccc4)CC3)c[nH]c12

0.537

View
CCc1nc(CN2CCN(C(=O)NCCc3c[nH]c4c(CC)cccc34)CC2)cs1

0.536

View
CC(=O)NCCNC(=O)NCCc1c[nH]c2c(Cl)cccc12

0.534

View
CC(=O)NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1

0.534

View
CC(=O)NCC(=O)N1CCN(Cc2cccc3cc[nH]c23)CC1

0.533

View
Cc1ccccc1CN1CCN(C(=O)Cc2c[nH]c3c(C)cccc23)CC1

0.533

View
CC(=O)NCCCCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1

0.532

View
CC(=O)NCCNC(=O)CCC(=O)N1CCN(Cc2cccc3ccccc23)CC1

0.532

View
CCC(=O)N1CCN(C(=O)NCCc2c[nH]c3c(Cl)cccc23)CC1

0.532

View
CC(=O)NCCCCCC(=O)N1CCN(Cc2cccc3cc[nH]c23)CC1

0.531

View
CCc1cccc2c(CCNC(=O)NCc3ccccc3CN3CCCC3)c[nH]c12

0.531

View
CC(=O)NCCC(=O)OCC(=O)N1CCN(Cc2cccc3ccccc23)CC1

0.531

View
CCc1cccc2c(CCNC(=O)NCCC(=O)N3CCOCC3)c[nH]c12

0.531

View
CN1CCN(C(=O)CCNC(=O)NCCc2c[nH]c3c(Cl)cccc23)CC1

0.531

View
CCc1cccc2c(CCNC(=O)N3CCN(CC(C)C)CC3)c[nH]c12

0.531

View
CCc1cccc2c(CCNC(=O)N3CCN(CC(F)(F)F)CC3)c[nH]c12

0.531

View
CCc1cccc2c(CCNC(=O)N3CCCN(CC)CC3)c[nH]c12

0.531

View
CCc1cccc2c(CCNC(=O)N3CCN(C(=O)COC)CC3)c[nH]c12

0.531

View
CCc1cccc2c(CCNC(=O)N3CCN(C(=O)CC(C)C)CC3)c[nH]c12

0.531

View
CCc1cccc2c(CCNC(=O)N3CCN(CC(F)F)CC3)c[nH]c12

0.531

View
CCc1cccc2c(CCNC(=O)N3CCN(C(=O)Cc4ccccc4)CC3)c[nH]c12

0.531

View
CCc1cccc2c(CCNC(=O)C(=O)NCc3ccccc3CN3CCCC3)c[nH]c12

0.531

View
CCc1cccc2c(CCNC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)c[nH]c12

0.530

View
CCc1cccc2c(CCNC(=O)NCC(=O)N3CCN(c4ccccc4)CC3)c[nH]c12

0.530

View
CCc1cccc2c(CCNC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)c[nH]c12

0.530

View
CCc1cccc2c(CCNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c[nH]c12

0.529

View
CCc1cccc2c(CCNC(=O)N3CCCN(Cc4ccc(F)cc4)CC3)c[nH]c12

0.529

View
CCc1cccc2c(CCNC(=O)N3CCN(Cc4ncc[nH]4)CC3)c[nH]c12

0.529

View
CCc1cccc2c(CCNC(=O)C(=O)N3CCN(Cc4cccs4)CC3)c[nH]c12

0.529

View
CCc1cccc2c(CCNC(=O)C(=O)N3CCN(Cc4ccco4)CC3)c[nH]c12

0.529

View
COc1ccccc1CN1CCN(C(=O)C(=O)NCCc2c[nH]c3c(C)cccc23)CC1

0.529

View
CCc1cccc2c(CCNC(=O)N3CCN(Cc4ccc(Cl)nc4)CC3)c[nH]c12

0.529

View
CC(=O)NCCC(=O)N1CCN(Cc2ccccc2C)CC1

0.526

View
CC(=O)NCCNC(=O)N1CCN(Cc2cccc3ccccc23)CC1

0.525

View
CCc1cccc2c(CCNC(=O)CNC(C)=O)c[nH]c12

0.525

View
CCc1cccc2c(CCNC(=O)N3CCN(C)CC3)c[nH]c12

0.525

View
CCc1cccc2c(CCNC(=O)[C@@H]3[C@H]4CNC[C@H]43)c[nH]c12

0.525

View
CCc1cccc2c(CCNC(=O)NCC(=O)N3CCCC3)c[nH]c12

0.524

View
CCc1cccc2c(CCNC(=O)N3CCCN(C(C)=O)CC3)c[nH]c12

0.524

View
CCc1cccc2c(CCNC(=O)N3CCN(C(=O)C(C)C)CC3)c[nH]c12

0.524

View
CCc1cccc2c(CCNC(=O)C(=O)NCC(=O)N3CCCC3)c[nH]c12

0.524

View
CCc1cccc2c(CCNC(=O)c3ccccc3CN3CCOCC3)c[nH]c12

0.523

View

C(N1CCN(CC2=CC=C(C)C=C2)CC1)(=O)CC1C2=C(C=CC=C2)NC=1

0.809

View
C(N(C)CCN1CCN(CC2=CC=CC=C2)CC1)(=O)CC1C2=C(C=CC=C2)NC=1

0.793

View
C(N1CCN(CC2=CC=CN=C2)CC1)(=O)CC1C2=C(C=CC=C2)NC=1

0.792

View
C(NCCN1CCN(CC2=CC=CC=C2)CC1)(=O)CC1C2=C(C=CC=C2)NC=1

0.792

View
C(N1CCN(CC2C=CC=C(C)C=2)CC1)(=O)CC1C2=C(C=CC=C2)NC=1

0.781

View


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