Molecule Details

MAK-UNK-72659d64-1 View Submission
N#Cc1nccc(NC(=O)CCl)n1
Molecular Properties
SMILES:
N#Cc1nccc(NC(=O)CCl)n1
MW: 196.02
Fraction sp3: 0.14
HBA: 4
HBD: 1
Rotatable Bonds: 2
TPSA: 78.67
cLogP: 0.53
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine REAL: Z3766263329
Enamine Extended REAL: m_270062____16414050____8147258

O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

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N#Cc1nc(NC(=O)CCl)cc(NC(=O)CCl)n1

MAK-UNK-72659d64-10
0.521

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CNc1ccnc(C#N)n1

MAK-UNK-ed378e62-9
0.500

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N#Cc1nccc(CNC(=O)CCl)n1

MAK-UNK-72659d64-4
0.491

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CN(C(=O)CCl)c1ccnc(C#N)n1

MAK-UNK-72659d64-5
0.446

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N#Cc1ncc(NC(=O)CCl)cn1

MAK-UNK-72659d64-3
0.423

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N#Cc1nc(NC(=O)CCl)c(NC(=O)CCl)c(NC(=O)CCl)n1

MAK-UNK-72659d64-17
0.415

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N#Cc1ncc(NC(=O)CCl)c(NC(=O)CCl)n1

MAK-UNK-72659d64-9
0.414

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N#Cc1nccc(Nc2cccs2)n1

MAK-UNK-ed378e62-21
0.414

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N#Cc1nccc(Nc2ccncn2)n1

MAK-UNK-ed378e62-14
0.411

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CN(Cc1ccnc(C#N)n1)C(=O)CCl

MAK-UNK-72659d64-8
0.400

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N#Cc1nccc(Cl)n1

AAR-RCN-37d0aa00-1
0.391

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N#Cc1nccc(Nc2ccsc2)n1

MAK-UNK-ed378e62-24
0.390

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N#Cc1nccc(O)n1

MAK-UNK-ed378e62-3
0.383

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Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(Nc2ccnc(C#N)n2)c1

MAK-UNK-849bee6c-2
0.358

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N#Cc1nccc(Nc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-3
0.358

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N#Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-29
0.356

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Cc1ccnc(C#N)n1

MAK-UNK-ed378e62-1
0.354

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N#Cc1nc(CNC(=O)CCl)cc(CNC(=O)CCl)n1

MAK-UNK-72659d64-12
0.351

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N#Cc1ncc(CNC(=O)CCl)cn1

MAK-UNK-72659d64-2
0.351

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N#Cc1ncc(CNC(=O)CCl)c(CNC(=O)CCl)n1

MAK-UNK-72659d64-11
0.349

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COc1ccnc(C#N)n1

MAK-UNK-ed378e62-5
0.346

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CC(=O)Nc1c(C)ccnc1NC(=O)CCl

RAF-SAT-b3ff87a1-4
0.333

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CSc1ccnc(C#N)n1

MAK-UNK-ed378e62-7
0.321

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N#Cc1nc(CNC(=O)CCl)c(CNC(=O)CCl)c(CNC(=O)CCl)n1

MAK-UNK-72659d64-18
0.317

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O=C(CCl)Nc1cccnc1Cl

AAR-POS-0daf6b7e-20
0.316

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CN(Cc1cnc(C#N)nc1CN(C)C(=O)CCl)C(=O)CCl

MAK-UNK-72659d64-15
0.313

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N#Cc1nccc(-c2ccsc2)n1

MAK-UNK-ed378e62-18
0.305

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O=C(CCl)Nc1cccnc1

MAK-UNK-ca11b4f7-1
0.304

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Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(Nc2cc(NC(=O)CCl)nc(C#N)n2)c1

MAK-UNK-849bee6c-25
0.295

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N#Cc1ccc(CNC(=O)CCl)cc1

MAK-UNK-f983951f-23
0.293

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CN(C(=O)CCl)c1cnc(C#N)nc1

MAK-UNK-72659d64-7
0.293

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CN(C(=O)CCl)c1cc(N(C)C(=O)CCl)nc(C#N)n1

MAK-UNK-72659d64-14
0.293

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N#Cc1nccc(-c2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-6
0.293

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N#Cc1nccc(Cc2ccncn2)n1

MAK-UNK-ed378e62-12
0.290

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O=C(CCl)Nc1ccccc1

SAD-SAT-6b5a89f0-8
0.288

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O=C(CCl)Nc1cnc(C2CC2)nc1

YOI-UNK-4c10088f-1
0.288

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.288

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N#Cc1nccc(-c2ccncn2)n1

MAK-UNK-ed378e62-11
0.288

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CN(C(=O)CCl)c1cnc(C#N)nc1N(C)C(=O)CCl

MAK-UNK-72659d64-13
0.288

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N#CCc1nc(C2CO2)ncc1NC(=O)CCl

YOI-UNK-144e4c15-1
0.286

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N#Cc1nccc(-c2cccs2)n1

MAK-UNK-ed378e62-17
0.283

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N#Cc1nccc(CCc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-8
0.282

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N#Cc1nccc(Cc2cccs2)n1

MAK-UNK-ed378e62-19
0.281

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N#Cc1nccc(Oc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-13
0.279

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N#Cc1nccc(Sc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-17
0.279

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O=C(CCl)Nc1ccsc1

SAD-SAT-6b5a89f0-10
0.278

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CN(c1cccc(CN2CCN(C(=O)CCl)CC2)c1)c1ccnc(C#N)n1

MAK-UNK-849bee6c-15
0.276

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CN(Cc1cnc(C#N)nc1)C(=O)CCl

MAK-UNK-72659d64-6
0.274

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CN(Cc1cc(CN(C)C(=O)CCl)nc(C#N)n1)C(=O)CCl

MAK-UNK-72659d64-16
0.274

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Cc1c(C#N)c(NC(=O)CCl)n(Cc2ccco2)c1C

MAR-TRE-6a44bbf2-40
0.270

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N#CC(c1ncncc1NC(=O)CCl)C1CC1F

YOI-UNK-144e4c15-2
0.270

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N#CC1=NC=CC1CNC(=O)CCl

YOI-UNK-4c10088f-2
0.270

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N#Cc1nccc(Sc2ccncn2)n1

MAK-UNK-ed378e62-16
0.270

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N#Cc1nccc(Oc2ccncn2)n1

MAK-UNK-ed378e62-13
0.270

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Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(Nc2nc(C#N)ncc2NC(=O)CCl)c1

MAK-UNK-849bee6c-26
0.269

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O=C(CCl)NC1=CSCC1

SAD-SAT-6b5a89f0-1
0.268

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N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.267

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CN(c1ccncn1)c1ccnc(C#N)n1

MAK-UNK-ed378e62-15
0.266

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N#Cc1nccc(-c2nc3ccccc3s2)n1

JOO-IND-b2fae8f6-1
0.265

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N#Cc1nccc(Oc2cccs2)n1

MAK-UNK-ed378e62-20
0.262

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N#Cc1nccc(Oc2ccsc2)n1

MAK-UNK-ed378e62-23
0.262

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N#Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

AGN-NEW-c7b24fe3-4
0.260

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COc1cc(NC(=O)CCl)cc(OC)c1OC

MAR-TRE-6a44bbf2-88
0.259

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CN(c1ccnc(C#N)n1)c1cccs1

MAK-UNK-ed378e62-22
0.258

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CN(c1ccsc1)c1ccnc(C#N)n1

MAK-UNK-ed378e62-25
0.258

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Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CCl)n1

MAR-TRE-6a44bbf2-55
0.254

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COc1cccc2sc(NC(=O)CCl)nc12

AAR-POS-0daf6b7e-4
0.254

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Cc1ccnc(SCC(=O)Nc2ccc(C#N)cc2)n1

MAR-TRE-a3327163-43
0.253

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N#Cc1c(NC(=O)CCl)sc2c1CCCC2

PRO-INS-c91ddbbd-1
0.250

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N#Cc1ncn(CC(=O)Nc2ccc(Br)cc2Cl)n1

MAT-POS-e10a589d-4
0.250

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CN(C(=O)Cc1cccc(Cl)c1)c1c(C#N)ncc2ccccc12

JOH-UNI-ee5ed7c8-9
0.247

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CN(C(=O)Cc1cccc(Cl)c1)c1c(C#N)ncc2ccccc12

JOH-UNI-3fc3434e-9
0.247

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Cc1ccnc(SCC(=O)Nc2sccc2C#N)n1

MAR-TRE-a3327163-20
0.247

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N#C/C(C(=O)NCc1ccccc1)=C(/O)CCl

JOH-UNI-c7afdb96-15
0.246

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CSc1nc(N)nc(SCC(=O)Nc2ccc(Cl)cc2)c1C#N

MAR-TRE-6c5ef77a-74
0.244

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CCc1nc(C2C(F)C2F)ncc1NC(=O)CCl

YOI-UNK-97f54f0c-1
0.243

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N#Cc1ccc(C(NC(=O)CN)C(N)=O)cn1

MAK-UNK-9955b1f3-11
0.242

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O=C(Cc1cccc(Cl)c1)Nc1nccc2[nH]ncc12

MAT-POS-199e2e7c-2
0.241

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N#Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

MAK-UNK-6ca90168-23
0.240

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

LON-WEI-120e5cf5-13
0.240

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Cc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1

ALV-UNI-7ff1a6f9-45
0.240

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Cc1cccc(CC(=O)Nc2cccnc2C#N)c1

AGN-NEW-c7b24fe3-3
0.240

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Cc1ccnc(C)c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-49816e9b-2
0.239

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Cc1ccc(OCC(=O)Nc2ccc(C#N)cn2)cc1

PET-SGC-cb62ec31-1
0.239

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N#Cc1ncc(-c2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-7
0.237

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N#CC1=NCN(C(=O)CCl)C1

SAD-SAT-6b5a89f0-3
0.237

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N#Cc1cc(NC(=O)CCl)cc(C(=O)N2CCSCC2)c1

MAK-UNK-987948f6-7
0.237

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N#CC1(NC(=O)CCl)CCC1

MAK-UNK-f983951f-17
0.236

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

MED-COV-4280ac29-20
0.235

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N#Cc1cnc(SCC(=O)NCCc2ccccc2)nc1N

MAR-TRE-0fda4e82-1
0.235

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N#Cc1ncc2ccccc2c1NC(=O)Cc1cccc(Cl)c1

JOH-UNI-3fc3434e-8
0.235

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N#Cc1ncc2ccccc2c1NC(=O)Cc1cccc(Cl)c1

JOH-UNI-ee5ed7c8-8
0.235

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N#Cc1ccc(NC(=O)Cc2cc3cccnc3[nH]2)s1

DAR-DIA-842b4336-19
0.235

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.234

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N#Cc1cccnc1SCC(=O)Nc1nccs1

MAR-TRE-a3327163-15
0.234

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Cc1cc(C)c(C#N)c(SCC(=O)Nc2nccs2)n1

MAR-TRE-a3327163-29
0.234

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O=C(CCl)NOCc1ccccc1

MAK-UNK-f983951f-13
0.233

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N#Cc1ccc(NC(=O)CSc2ccccn2)cc1

MAR-TRE-1c920f6f-75
0.233

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C[C@@H](NC(=O)c1ccccc1NC(=O)CCl)c1ccccc1

MAR-TRE-6a44bbf2-57
0.233

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CSC1=C(C#N)C2(CCCCC2)C(C#N)=C(NC(=O)CCl)N1

MAT-POS-fa06b69f-2
0.233

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Discussion:

Contributor: Maksym Voznyy - Thu, 14 May 2020 16:19:19 +0000