CFam Chemical Families Database
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You are searching for "CFAMM00402910" in compound.

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CFAM Mol ID CFAMM00402910
Family CFFBM10572 Coagulation factor X inhibitor SureCN8169809 family
Superfamily CFSBM5209 Coagulation factor X and Sodium channel protein type 9 subunit alpha Binder Superfamily
Class CFCCD36 Class 849
External ID CHEMBL518649 External Source CHEMBL
PubChem CID 44570051 Functional Category Bioactive
Molecule Name 1-[4-amino-2-[(3S)-3-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-4-chloro-5-methylpyrazole-3-carboxamide
IUPAC Name 1-[4-amino-2-[(3S)-3-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-4-chloro-5-methylpyrazole-3-carboxamide
Synonyms CHEBI:572689
InChi InChI=1S/C30H39ClN6O2/c1-4-6-14-35(15-7-5-2)30(39)28-27(31)20(3)37(34-28)26-13-12-23(33)17-25(26)29(38)36-19-22-11-9-8-10-21(22)16-24(36)18-32/h8-13,17,24H,4-7,14-16,18-19,32-33H2,1-3H3/t24-/m0/s1
InChiKey LYJGXWXIUMTCJM-DEOSSOPVSA-N
Formula C30H39ClN6O2 Molecular Weight 551.12
Cross Link CHEMBL518649
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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