Molecule Details

N#Cc1cs[nH]1
Check Availability on Manifold
Molecular Properties
SMILES:
N#Cc1cs[nH]1
MW: 97.99
Fraction sp3: 0.0
HBA: 2
HBD: 1
Rotatable Bonds: 0
TPSA: 39.58
cLogP: 0.95
Covalent Warhead:
Covalent Fragment:

CCNc1ccc(C#N)cn1

AAR-POS-d2a4d1df-5

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Cc1[nH]sc1C#N

ABI-SAT-27442b71-1
0.308

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Cn1cc(C#N)s1

ABI-SAT-95eab675-1
0.250

View
N#Cc1ncc[nH]1

AAR-POS-f650c5f2-2
0.233

View
N#Cc1nncs1

MAK-UNK-987948f6-14
0.233

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N#Cc1ncc(-c2ccsc2)[nH]1

MAK-UNK-7732b35b-18
0.233

View
CSc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-7
0.229

View
N#Cc1ncc(O)cn1

MAK-UNK-ed378e62-4
0.226

View
N#Cc1ncc(F)s1

ABI-SAT-aa268ad7-10
0.226

View
N#Cc1nc(O)c[nH]1

MAK-UNK-7732b35b-3
0.219

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Cc1cnc(C#N)[nH]1

MAK-UNK-7732b35b-1
0.219

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N#CC1=C(CO)S1

ABI-SAT-f7794817-2
0.214

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N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.214

View
N#Cc1ncc(-c2cccs2)[nH]1

MAK-UNK-7732b35b-14
0.209

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N#CC1=NNC1O

ABI-SAT-95eab675-2
0.207

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N#Cc1cc(O)nc2[nH]ccc12

MAR-TRE-3159af1a-83
0.205

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N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.200

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N#Cc1ncc(Sc2cncnc2)cn1

MAK-UNK-ed378e62-41
0.200

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N#Cc1ncc(Cc2cncnc2)cn1

MAK-UNK-ed378e62-39
0.195

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N#Cc1ncc(-c2ccsc2)cn1

MAK-UNK-ed378e62-27
0.195

View
N#Cc1ncc(-c2cnc[nH]2)[nH]1

MAK-UNK-7732b35b-13
0.195

View
COc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-5
0.194

View
CNc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-9
0.194

View
Cc1nnc(C#N)s1

ABI-SAT-aa268ad7-11
0.194

View
N#Cc1c(Cl)c1=O

ABI-SAT-f7794817-3
0.192

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N#CC1=NCC1

ABI-SAT-95eab675-4
0.192

View
N#Cc1ncc(Nc2ccsc2)[nH]1

MAK-UNK-7732b35b-25
0.191

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N#Cc1ncc(Sc2ccsc2)[nH]1

MAK-UNK-7732b35b-29
0.191

View
N#Cc1ncc(Oc2ccsc2)[nH]1

MAK-UNK-7732b35b-21
0.191

View
N#Cc1ncc(Sc2cccs2)[nH]1

MAK-UNK-7732b35b-28
0.188

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N#Cc1ncc(Br)cn1

AAR-RCN-98de6bc7-1
0.188

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N#Cc1ncc(F)cn1

AAR-RCN-ec065b93-1
0.188

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N#Cc1ncc(Cl)cn1

AAR-RCN-934be69e-1
0.188

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Cc1cnc(C#N)nc1

MAK-UNK-ed378e62-2
0.188

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N#CC1C=CC=CS1

SAD-SAT-edc8a235-4
0.188

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Cc1cc(C)nc(C#N)n1

AAR-RCN-8752a6eb-1
0.188

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N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.185

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N#Cc1ncc(-c2cncnc2)cn1

MAK-UNK-ed378e62-38
0.184

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

MAK-UNK-7732b35b-32
0.184

View
N#Cc1ncc(Sc2ccsc2)cn1

MAK-UNK-ed378e62-33
0.182

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N#Cc1cccnc1

MAK-UNK-ca11b4f7-4
0.182

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CN(c1ccsc1)c1cnc(C#N)[nH]1

MAK-UNK-7732b35b-33
0.180

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N#Cc1ncc(Nc2ccsc2)cn1

MAK-UNK-ed378e62-35
0.178

View
N#Cc1ncc(Oc2ccsc2)cn1

MAK-UNK-ed378e62-31
0.178

View
N#Cc1nccn1-c1ccsc1

MAK-UNK-7732b35b-17
0.178

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N#Cc1ncc(Cc2ccsc2)cn1

MAK-UNK-ed378e62-29
0.178

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N#Cc1cnn(C(=O)c2cccs2)c1C1CC1

LON-WEI-5e7d1b3e-70
0.175

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N#Cc1cnn(C(=O)c2cccs2)c1C1CC1

LON-WEI-4d77710c-70
0.175

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N#Cc1nccc(-c2ccsc2)n1

MAK-UNK-ed378e62-18
0.174

View
N#Cc1ncc(Sc2cccs2)cn1

MAK-UNK-ed378e62-32
0.174

View
CN(c1cnc(C#N)nc1)c1ccsc1

MAK-UNK-ed378e62-37
0.174

View
CSc1cnc(C#N)nc1

MAK-UNK-ed378e62-8
0.171

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CNc1cnc(C#N)nc1

MAK-UNK-ed378e62-10
0.171

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COc1cc(OC)nc(C#N)n1

AAR-RCN-748c104b-1
0.171

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COc1cnc(C#N)nc1

AAR-RCN-9c8a34f0-1
0.171

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COc1cnc(C#N)nc1

MAK-UNK-ed378e62-6
0.171

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N#Cc1nccc(Cl)n1

AAR-RCN-37d0aa00-1
0.171

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N#Cc1ncc(Oc2cncnc2)cn1

MAK-UNK-ed378e62-40
0.171

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N#CN1CCN(Cc2ccc(Br)s2)CC1

JOH-UNI-27ac80fd-27
0.170

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N#Cc1ncc(Nc2cccs2)[nH]1

MAK-UNK-7732b35b-24
0.170

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CN(c1cnc(C#N)nc1)c1cccs1

MAK-UNK-ed378e62-36
0.167

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N#Cc1ncc(-c2cccs2)cn1

MAK-UNK-ed378e62-26
0.167

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CC(=O)C(=O)c1cpc(C#N)[nH]1

ABI-SAT-897caeb8-2
0.167

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Cc1ccnc(C#N)n1

MAK-UNK-ed378e62-1
0.167

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N#Cc1nccc(O)n1

MAK-UNK-ed378e62-3
0.167

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N#Cc1ncc(Nc2cncnc2)cn1

MAK-UNK-ed378e62-42
0.167

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N#CC1=NCC1F

ABI-SAT-95eab675-3
0.167

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Cc1nnc(SCc2ccc(C#N)cc2)s1

MAR-TRE-14ce9fd6-55
0.163

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N#Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-29
0.163

View
N#Cc1ncc(Oc2cccs2)[nH]1

MAK-UNK-7732b35b-20
0.163

View
CN(c1cncnc1)c1cnc(C#N)nc1

MAK-UNK-ed378e62-43
0.163

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

ABI-SAT-897caeb8-4
0.163

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N#Cc1ccc2c(n1)S(=O)(=O)N2

ABI-SAT-aa268ad7-5
0.163

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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.160

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N#Cc1c[nH]c2cc(C(=O)O)c(F)cc12

ABI-SAT-aa268ad7-3
0.160

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

YOI-UNK-50175d1a-1
0.159

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N#CCC1C=CC=C1n1os1

YOI-UNK-9f5fb3d8-1
0.159

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Cc1ncc(Cc2cnc(C#N)[nH]2)[nH]1

MAK-UNK-7732b35b-11
0.159

View
CN(c1nccnc1C#N)S(C)(=O)=O

DRV-UNK-7620afc8-1
0.159

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N#Cc1c[nH]c2ccc(F)cc12

ABI-SAT-30e287c1-1
0.159

View
N#CCC1C=CC=C1n1os1

YOI-UNK-f445e09d-1
0.159

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CC#N

MAK-UNK-4b073b5c-7
0.158

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N#CCl

MAK-UNK-4b073b5c-9
0.158

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

MAK-UNK-72659d64-9
0.157

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N#Cc1c[nH]c2cc(C(N)=O)c(F)cc12

ABI-SAT-aa268ad7-4
0.157

View
N#Cc1nccc(Nc2ccsc2)n1

MAK-UNK-ed378e62-24
0.157

View
N#Cc1nccc(Oc2ccsc2)n1

MAK-UNK-ed378e62-23
0.157

View
N#Cc1c[nH]nc1Cc1cccnc1

STE-UNK-dfade101-1
0.157

View
CS(=O)(=O)C1=C(C#N)C1

MAK-UNK-95198336-17
0.156

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N#Cc1cn(C2C=C(F)C=N2)s1

YOI-UNK-4c10088f-3
0.156

View
N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.154

View
CN(c1ccnc(C#N)n1)c1cccs1

MAK-UNK-ed378e62-22
0.154

View
CN(c1ccsc1)c1ccnc(C#N)n1

MAK-UNK-ed378e62-25
0.154

View
N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.154

View
N#Cc1ncc(Nc2cccs2)cn1

MAK-UNK-ed378e62-34
0.152

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N#CCN(CC#N)S(=O)(=O)Cc1ccc(Cl)cc1

MAR-TRE-1c920f6f-28
0.152

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N#Cc1ncc(Cc2cnc[nH]2)[nH]1

MAK-UNK-7732b35b-12
0.152

View
N#Cc1nccn1-c1cccs1

MAK-UNK-7732b35b-15
0.152

View
N#Cc1c[nH]c2c(O)cc(F)cc12

ABI-SAT-30e287c1-3
0.152

View
Cc1nnc(SCC#N)s1

MAR-TRE-6c5ef77a-78
0.150

View
CNc1ccnc(C#N)n1

MAK-UNK-ed378e62-9
0.150

View

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