CFam Chemical Families Database
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You are searching for "CFAMM00310161" in compound.

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CFAM Mol ID CFAMM00310161
Family CFFBM312 Renin inhibitor (1R,5R)-3-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]non-3-ene-4-carboxamide family
Superfamily CFSBM193 Renin Binder Superfamily 3
Class CFCBM74 Class 3124
External ID CHEMBL1076453 External Source CHEMBL
PubChem CID 46880050 Functional Category Bioactive
Molecule Name (1S,5S)-7-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
IUPAC Name (1S,5S)-7-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
Synonyms CHEBI:712461
InChi InChI=1S/C35H38ClF2N3O3/c1-21-24(6-3-7-31(21)43-2)20-41(26-12-13-26)35(42)32-27(17-25-18-39-19-30(32)40-25)23-10-8-22(9-11-23)5-4-16-44-34-29(38)15-14-28(37)33(34)36/h3,6-11,14-15,25-26,30,39-40H,4-5,12-13,16-20H2,1-2H3/t25-,30+/m0/s1
InChiKey LBNVANDBNOMBKR-SETSBSEESA-N
Formula C35H38ClF2N3O3 Molecular Weight 622.14
Cross Link CHEMBL1076453
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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