CFam Chemical Families Database
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You are searching for "CFAMM00440729" in compound.

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CFAM Mol ID CFAMM00440729
Family CFFBM17138 Renin inhibitor (1R,5S)-3-acetyl-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-7-[4-(2-phenoxyethoxy)phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide family
Superfamily CFSBM193 Renin Binder Superfamily 3
Class CFCBM74 Class 3124
External ID CHEMBL510822 External Source CHEMBL
PubChem CID 44158199 Functional Category Bioactive
Molecule Name (1R,5S)-3-acetyl-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-7-[4-[2-(2-methoxyphenoxy)ethoxy]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
IUPAC Name (1R,5S)-3-acetyl-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-7-[4-[2-(2-methoxyphenoxy)ethoxy]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
Synonyms CHEBI:580729
InChi InChI=1S/C35H37Cl2N3O5/c1-22(41)39-20-25-18-28(23-10-14-27(15-11-23)44-16-17-45-32-9-4-3-8-31(32)43-2)33(30(21-39)38-25)35(42)40(26-12-13-26)19-24-6-5-7-29(36)34(24)37/h3-11,14-15,25-26,30,38H,12-13,16-21H2,1-2H3/t25-,30-/m1/s1
InChiKey NUSQKZNDRMDGCK-FYBSXPHGSA-N
Formula C35H37Cl2N3O5 Molecular Weight 650.59
Cross Link CHEMBL510822
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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