Molecule Details

SAD-SAT-1b030f84-1 View Submission
N=C(N)CCl
Molecular Properties
SMILES:
N=C(N)CCl
MW: 92.01
Fraction sp3: 0.5
HBA: 1
HBD: 2
Rotatable Bonds: 1
TPSA: 49.87
cLogP: 0.16
Covalent Warhead: ✗
Covalent Fragment: ✔️
Source
Enamine SCR: Z1954803710
Mcule: MCULE-1495198330
MolPort: MolPort-002-471-411

imine

imine

Filter45_allyl_halide2

acyclic C=N-H

Imine 3

Alkyl Halide

CC(=O)N1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-21

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CCC(=N)N

AAR-POS-d2a4d1df-17

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O=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1

AAR-POS-0daf6b7e-14

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CCC(=N)N

AAR-POS-d2a4d1df-17
0.429

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NC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-704ed37c-11
0.241

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.214

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

MAK-UNK-750cfbcc-1
0.212

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N=C(N)CCN(C(=O)CCl)C1CCS(=O)(=O)C1

DAN-PUR-6788a628-1
0.209

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.208

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

SAD-SAT-1b030f84-9
0.208

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O=C(CCl)N1c2ccccc2N(C(=O)CCl)c2ccccc21

AAA-OOO-6ef70637-1
0.207

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.207

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.200

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.200

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.200

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NC(=O)C1CCN(C(=O)CCl)CO1

MAK-UNK-704ed37c-16
0.194

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NC(=O)C1CCN(C(=O)CCl)CN1

MAK-UNK-704ed37c-14
0.194

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.192

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N#CCC(N)=O

MAK-UNK-4b073b5c-24
0.190

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.185

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.185

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O=C(CCl)NC1CC1

MAK-UNK-f983951f-25
0.185

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NC(=O)C1CCN(C(=O)CCl)OC1

MAK-UNK-704ed37c-15
0.184

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NC(=O)C1CCN(C(=O)CCl)CS1

MAK-UNK-704ed37c-17
0.184

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O=C(CCl)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-1
0.182

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N=C(N)SCCNc1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-4
0.182

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NC(=O)C1CCCN(C(=O)CCl)C1

SAD-SAT-65574d3f-6
0.179

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N=C(N)SCCNc1c[nH]nc1CCl

MAR-TRE-423310b6-8
0.178

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NC(=O)CCc1nc(O)oc1CCl

MAR-TRE-8a25d817-69
0.175

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CS(=O)(=O)NCCc1ccc(CC(=N)N)cc1

MAK-UNK-27459e11-9
0.175

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N=C(N)NCCCCNc1c[nH]nc1CCl

MAR-TRE-423310b6-59
0.174

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CC(C)(O)CNC(=O)CCl

MAT-POS-162a9720-9
0.172

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.172

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O=C(CCl)N1C[S+]([O-])C1

MAK-UNK-95198336-11
0.172

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N=C(N)Cc1ncncc1N

SUG-SAT-424020ef-2
0.171

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NS(=O)(=O)CC(=O)N1CCN(C(=O)CCl)CC1

SAD-SAT-1b030f84-8
0.171

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NC1=CN(C(=O)CCl)C(=O)C1

ASH-UNK-e28bb067-8
0.171

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CC(=O)N1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-21
0.167

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N=C(N)CS(=O)(=O)NCCc1ccccc1

MAK-UNK-27459e11-3
0.167

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CS(=O)(=O)NCCc1ccccc1CC(=N)N

MAK-UNK-27459e11-7
0.167

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N=C(N)CCS(=O)(=O)NCCc1ccccc1

MAK-UNK-27459e11-1
0.163

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NCN(C(=O)CCl)c1ccc(F)cc1

MAK-UNK-e0fdfe28-1
0.162

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O=C(CCl)N1CCN(C(=O)N2CCCCCC2)CC1

MAK-UNK-704ed37c-13
0.162

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O=C(CCl)N1CCS(=O)(=O)CC1

SAD-SAT-bc31ec01-2
0.161

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.161

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Cc1ccc(C(=O)N2CCN(C(=O)CCl)C(CC(=N)N)C2)cc1

SEL-UNI-cd366922-1
0.158

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NC(=O)Cc1nc(O)oc1CCl

MAR-TRE-8a25d817-59
0.158

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NC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1

LON-WEI-1908424e-16
0.158

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O=C(CCl)N1CCC(N2CCN(C(=O)CCl)CC2)CC1

WAR-XCH-b0339bbe-18
0.158

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O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.156

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.156

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.156

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.156

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.156

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.156

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NC(=O)CCN(C(=O)CCl)C1CCS(=O)(=O)C1

DAN-PUR-6788a628-2
0.156

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CC(=O)N1CCN(C(=O)CCl)C[C@@H]1CC(N)=O

DAN-PUR-3907f623-1
0.156

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O=C(CCl)NOCc1ccccc1

MAK-UNK-f983951f-13
0.154

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NC(=O)CCNC(=O)c1conc1CCl

MAR-TRE-a78003aa-76
0.152

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O=C(CCl)Nc1ccccc1

SAD-SAT-6b5a89f0-8
0.152

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O=C(CCl)NC1CCCCC1

SAD-SAT-edc8a235-1
0.152

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CC(NC(=O)CCl)C1CC1

MAK-UNK-f983951f-16
0.152

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O=C(CCl)NC(=O)NC1CC1

MAK-UNK-f983951f-24
0.152

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N#CC1CN(C(=O)CCl)C1

MAK-UNK-95198336-9
0.152

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.152

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.152

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.152

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CS(=O)(=O)NCCc1ccc(C(=N)N)cc1

MAK-UNK-27459e11-16
0.150

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N=C(N)S(=O)(=O)NCCc1ccccc1

MAK-UNK-27459e11-4
0.150

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O=C(CCl)NCc1cn(F)nn1

SAD-SAT-1b030f84-2
0.150

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CC(=O)N1C2CC([C@@H]1CC(N)=O)N(C(=O)CCl)C2

MAK-UNK-ec98eaf6-29
0.149

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CC(=O)[C@@H]1CN(C(=O)CCl)C[C@H](CC(N)=O)N1C(C)=O

DAN-PUR-3907f623-2
0.149

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CS(=O)(=O)NCCc1cccc(CC(=N)N)c1

MAK-UNK-27459e11-10
0.149

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N=C(N)NCCCCC(Nc1cnc(CCl)[nH]1)C(=O)O

MAR-TRE-87acfbcc-53
0.148

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O=C(CCl)N1C=CCC1=O

MAK-UNK-4b073b5c-14
0.147

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CC1CN(C(=O)CCl)C(C)O1

SAD-SAT-d8079f6f-1
0.147

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O=C(CCl)N1C=CCS1(=O)=O

MAK-UNK-6c8f5f75-6
0.147

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.147

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

MAK-UNK-f983951f-17
0.147

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C=CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-16
0.147

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O=C1CN(C(=O)CCl)CN1

SAD-SAT-edc8a235-10
0.147

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.147

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N=C(N=C(N)N)N1CCOCC1

KEI-TRE-fa9ada3e-9
0.147

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CC(=O)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-987948f6-5
0.147

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O=C(CCl)N1CCC(C(=O)N2CCCCCC2)CC1

MAK-UNK-750cfbcc-5
0.146

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NS(=O)(=O)c1ccc(CNC(=O)CCl)cc1

SAD-SAT-65574d3f-2
0.146

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NS(=O)(=O)c1ccc(CNC(=O)CCl)cc1

MAR-TRE-6a44bbf2-73
0.146

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O=C(CCl)Nc1ccsc1

SAD-SAT-6b5a89f0-10
0.143

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N=C(N)SCc1ccc(NC(=O)c2conc2CCl)cc1

MAR-TRE-a78003aa-77
0.143

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NC(=O)CCC(=O)c1nc(O)sc1CCl

MAR-TRE-aca67d11-77
0.143

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CNC(=O)N(C)CCN(C)C(=O)CCl

VIK-SYN-bf9c9ac8-5
0.143

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N#CCC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-18
0.143

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O=C(CCl)NC(=O)OCc1ccccc1

MAK-UNK-f983951f-5
0.143

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CN(C(=O)CCl)c1ccccc1

SAD-SAT-d8079f6f-8
0.143

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CN(C(=O)CCl)C1CCCCC1

SAD-SAT-d8079f6f-9
0.143

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CNC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-704ed37c-12
0.143

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N#CC1CCN(C(=O)CCl)CC1

MAK-UNK-6c8f5f75-1
0.143

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CC(=O)N(C(=O)CCl)c1cncc(N)c1

DAN-PUR-19f24f0c-2
0.143

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N#CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-17
0.143

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N#CC1CN(C(=O)CCl)O1

MAK-UNK-95198336-10
0.143

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CCO

JAM-UNK-fcc74568-1
0.143

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NC(=O)CC(=O)n1ccn(C(=O)CC(N)=O)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-67
0.143

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O=C(CCl)N1CCN(c2ccccc2[N+](=O)[O-])CC1

AAR-POS-d2a4d1df-28
0.140

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Discussion:

Contributor: Sadit Joarder, SATEC - Tue, 26 May 2020 18:36:56 +0000