Molecule Details

N#Cc1nncs1
Check Availability on Manifold
Molecular Properties
SMILES:
N#Cc1nncs1
MW: 110.99
Fraction sp3: 0.0
HBA: 4
HBD: 0
Rotatable Bonds: 0
TPSA: 49.57
cLogP: 0.41
Covalent Warhead:
Covalent Fragment: ✔️
Source
Enamine BB: BBV-39728073
Mcule: MCULE-4606996572

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

LON-WEI-8f408cad-3

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Cc1nnc(C#N)s1

ABI-SAT-aa268ad7-11
0.312

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N#Cc1ncc(F)s1

ABI-SAT-aa268ad7-10
0.303

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N#Cc1cs[nH]1

ABI-SAT-f7794817-1
0.233

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CSc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-7
0.231

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N#Cc1ncc(Br)cn1

AAR-RCN-98de6bc7-1
0.229

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CC(=O)CC(=O)c1nnc(C#N)s1

ABI-SAT-897caeb8-4
0.222

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N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.219

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CNc1ccnc(C#N)n1

MAK-UNK-ed378e62-9
0.214

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Cn1cc(C#N)s1

ABI-SAT-95eab675-1
0.212

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O=C(Cc1cc(Cl)cc(Cl)c1)Nc1nncs1

JAG-UCB-cedd89ab-3
0.212

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N#Cc1nccc(Cl)n1

AAR-RCN-37d0aa00-1
0.211

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CNc1cnc(C#N)nc1

MAK-UNK-ed378e62-10
0.211

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N#Cc1ncc(Nc2cccs2)cn1

MAK-UNK-ed378e62-34
0.208

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N#Cc1nccc(Nc2cccs2)n1

MAK-UNK-ed378e62-21
0.208

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

MAK-UNK-9955b1f3-11
0.208

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N#Cc1nccc(Oc2cccs2)n1

MAK-UNK-ed378e62-20
0.208

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N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.207

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N#Cc1nccc(O)n1

MAK-UNK-ed378e62-3
0.205

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Cc1ccnc(C#N)n1

MAK-UNK-ed378e62-1
0.205

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N#Cc1nccc(-c2cccs2)n1

MAK-UNK-ed378e62-17
0.204

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N#Cc1ncc(Oc2cccs2)cn1

MAK-UNK-ed378e62-30
0.204

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N#Cc1ncc(Nc2cccs2)[nH]1

MAK-UNK-7732b35b-24
0.200

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N#Cc1ncc(-c2cccs2)cn1

MAK-UNK-ed378e62-26
0.200

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CNc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-9
0.200

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N#Cc1ncc[nH]1

AAR-POS-f650c5f2-2
0.200

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N#CC1=NCC1

ABI-SAT-95eab675-4
0.200

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O=C(Cc1cccc(Cl)c1)Nc1nncs1

NAU-LAT-e1818702-10
0.196

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O=C(Cc1cccc(Cl)c1)Nc1nncs1

JAN-GHE-5a013bed-7
0.196

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N#Cc1nccc(Nc2ccncn2)n1

MAK-UNK-ed378e62-14
0.196

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Cc1cnc(C#N)nc1

MAK-UNK-ed378e62-2
0.194

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N#Cc1ncc(O)cn1

MAK-UNK-ed378e62-4
0.194

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N#Cc1ncc(F)cn1

AAR-RCN-ec065b93-1
0.194

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Cc1cc(C)nc(C#N)n1

AAR-RCN-8752a6eb-1
0.194

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N#Cc1ncc(Cl)cn1

AAR-RCN-934be69e-1
0.194

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N#Cc1ncc(Oc2cccs2)[nH]1

MAK-UNK-7732b35b-20
0.192

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Cc1nnc(SCc2ccc(C#N)cc2)s1

MAR-TRE-14ce9fd6-55
0.192

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N#Cc1cn(C2N=CC(F)=C2F)s1

YOI-UNK-50175d1a-1
0.191

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Cc1cnc(C#N)[nH]1

MAK-UNK-7732b35b-1
0.189

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N#Cc1nc(O)c[nH]1

MAK-UNK-7732b35b-3
0.189

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N#Cc1cccnc1

MAK-UNK-ca11b4f7-4
0.189

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N#Cc1ncc(-c2cccs2)[nH]1

MAK-UNK-7732b35b-14
0.188

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N#Cc1nccc(Cc2cccs2)n1

MAK-UNK-ed378e62-19
0.185

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

MAK-UNK-72659d64-4
0.185

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N#Cc1nccc(Nc2ccsc2)n1

MAK-UNK-ed378e62-24
0.185

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N#Cc1ncc(Nc2ccsc2)cn1

MAK-UNK-ed378e62-35
0.184

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N#Cc1nccn1-c1cccs1

MAK-UNK-7732b35b-15
0.184

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N#Cc1cc(O)nc2[nH]ccc12

MAR-TRE-3159af1a-83
0.184

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N#Cc1nccn1-c1ccsc1

MAK-UNK-7732b35b-17
0.184

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N#Cc1ncc(-c2ccsc2)[nH]1

MAK-UNK-7732b35b-18
0.184

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N#CC1=C(CO)S1

ABI-SAT-f7794817-2
0.182

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Cc1[nH]sc1C#N

ABI-SAT-27442b71-1
0.182

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CCNc1ncc(C#N)cc1CCC(=N)N

PET-SGC-9a4d8c0f-1
0.182

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CSc1ccnc(C#N)n1

MAK-UNK-ed378e62-7
0.182

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CN(c1ccnc(C#N)n1)c1cccs1

MAK-UNK-ed378e62-22
0.182

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COc1ccnc(C#N)n1

MAK-UNK-ed378e62-5
0.182

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N#Cc1nccc(-c2ccsc2)n1

MAK-UNK-ed378e62-18
0.180

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

MAK-UNK-72659d64-12
0.180

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N#Cc1ncc(Cc2cccs2)cn1

MAK-UNK-ed378e62-28
0.180

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N#Cc1ncc(Sc2cccs2)cn1

MAK-UNK-ed378e62-32
0.180

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COc1cnc(C#N)nc1

AAR-RCN-9c8a34f0-1
0.179

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COc1cnc(C#N)nc1

MAK-UNK-ed378e62-6
0.179

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COc1cc(OC)nc(C#N)n1

AAR-RCN-748c104b-1
0.179

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CSc1cnc(C#N)nc1

MAK-UNK-ed378e62-8
0.179

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CCNc1ccc(C#N)cn1

AAR-POS-d2a4d1df-5
0.178

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

MAK-UNK-72659d64-1
0.176

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N#CC1=NCC1F

ABI-SAT-95eab675-3
0.176

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N#CC1=NNC1O

ABI-SAT-95eab675-2
0.176

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N#Cc1ncc(-c2ccsc2)cn1

MAK-UNK-ed378e62-27
0.174

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N#Cc1ncc(Nc2cncnc2)cn1

MAK-UNK-ed378e62-42
0.174

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COCCNc1oc(/C=C/c2cccs2)nc1C#N

MAR-TRE-0fda4e82-98
0.174

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CN(CC(=N)N)Cc1ccc(C#N)nc1

MAK-UNK-9955b1f3-5
0.173

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N#Cc1ncc(Nc2ccsc2)[nH]1

MAK-UNK-7732b35b-25
0.173

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CN(c1cnc(C#N)nc1)c1cccs1

MAK-UNK-ed378e62-36
0.173

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CN(CCC#N)CC(=O)Nc1nccs1

MAR-TRE-6c5ef77a-61
0.172

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Cc1nc(C#N)c(NCc2ccco2)o1

MAR-TRE-6c5ef77a-53
0.172

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C=CC(=O)N[C@H]1CCc2ncsc2C1

DAV-IMP-59dd6621-19
0.172

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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.172

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Cc1nnc(SCC(=O)Nc2sccc2C#N)s1

MAR-TRE-a3327163-50
0.172

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N#CC1C=NN=S1C(F)(F)F

ABI-SAT-2adc218e-1
0.171

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COc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-5
0.171

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

MAK-UNK-72659d64-10
0.170

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N#CCNS(=O)(=O)c1ccc(Cl)cc1

MAR-TRE-1c920f6f-71
0.170

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N#Cc1nccc(Cc2ccncn2)n1

MAK-UNK-ed378e62-12
0.170

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N#Cc1ncc(Sc2cccs2)[nH]1

MAK-UNK-7732b35b-28
0.170

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CN(c1ccncn1)c1ccnc(C#N)n1

MAK-UNK-ed378e62-15
0.167

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N#CCC1C=CC=C1n1os1

YOI-UNK-f445e09d-1
0.167

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NC(=O)C1CCC(c2nncs2)C1c1ccsc1

SCO-VAN-260d9628-3
0.167

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Cn1cnnc1SCc1ccc(C#N)cc1Cl

MAR-TRE-1c920f6f-22
0.167

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CCNc1ncc(C#N)cc1Cc1nnc(C)s1

PET-SGC-f147f0b6-1
0.167

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N#CCC1C=CC=C1n1os1

YOI-UNK-9f5fb3d8-1
0.167

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

MAK-UNK-72659d64-3
0.167

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CN(c1cnc(C#N)[nH]1)c1cccs1

MAK-UNK-7732b35b-32
0.167

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

MAR-TRE-0fda4e82-30
0.167

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N#Cc1ccsc1S(=O)(=O)NC(=O)c1cncnc1

MAR-TRE-8190bb11-44
0.167

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

MAR-TRE-a3327163-29
0.167

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COc1ccc(S(=O)(=O)NCC#N)cc1

MAR-TRE-0fda4e82-41
0.167

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CC(=O)Nc1cc(C#N)ccc1C

IND-SYN-2c708b29-4
0.167

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

MAR-TRE-a3327163-20
0.164

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COC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N

MAR-TRE-a3327163-8
0.164

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N#Cc1nccc(Oc2ccsc2)n1

MAK-UNK-ed378e62-23
0.164

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