CFam Chemical Families Database
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You are searching for "CFAMM00440698" in compound.

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CFAM Mol ID CFAMM00440698
Family CFFBM17134 Renin inhibitor (1R,5S)-N-[(2-chlorophenyl)methyl]-7-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-N,3-dimethyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide family
Superfamily CFSBM193 Renin Binder Superfamily 3
Class CFCBM74 Class 3124
External ID CHEMBL508748 External Source CHEMBL
PubChem CID 44158061 Functional Category Bioactive
Molecule Name (1R,5S)-3-benzylsulfonyl-N-[(2-chlorophenyl)methyl]-7-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-N-methyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
IUPAC Name (1R,5S)-3-benzylsulfonyl-N-[(2-chlorophenyl)methyl]-7-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-N-methyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
Synonyms CHEBI:580698
InChi InChI=1S/C40H44ClN3O6S/c1-43(24-31-13-6-8-15-36(31)41)40(45)39-35(23-33-25-44(26-37(39)42-33)51(46,47)28-29-11-4-3-5-12-29)30-17-19-34(20-18-30)50-22-10-21-49-27-32-14-7-9-16-38(32)48-2/h3-9,11-20,33,37,42H,10,21-28H2,1-2H3/t33-,37-/m1/s1
InChiKey GYAFYHGUVYTAJG-PZSMLTKBSA-N
Formula C40H44ClN3O6S Molecular Weight 730.31
Cross Link CHEMBL508748
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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