CFam Chemical Families Database
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You are searching for "CFAMM00440767" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00440767
Family CFFBM17147 Renin inhibitor SureCN5073976 family
Superfamily CFSBM193 Renin Binder Superfamily 3
Class CFCBM74 Class 3124
External ID CHEMBL444146 External Source CHEMBL
PubChem CID 10462142 Functional Category Bioactive
Molecule Name SureCN5073976
IUPAC Name (1R,5S)-3-acetyl-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-7-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
Synonyms SureCN5073978;CHEBI:580722
InChi InChI=1S/C35H34Cl2F3N3O3/c1-20(44)42-18-24-16-26(22-9-7-21(8-10-22)4-3-15-46-34-29(39)14-13-28(38)33(34)40)31(30(19-42)41-24)35(45)43(25-11-12-25)17-23-5-2-6-27(36)32(23)37/h2,5-10,13-14,24-25,30,41H,3-4,11-12,15-19H2,1H3/t24-,30-/m1/s1
InChiKey WMFNFSJADWVQPN-AYWVHJORSA-N
Formula C35H34Cl2F3N3O3 Molecular Weight 672.56
Cross Link CHEMBL444146
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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