CFam Chemical Families Database
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You are searching for "CFAMM00334478" in compound.

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CFAM Mol ID CFAMM00334478
Family CFFBM2462 Renin and Potassium voltage-gated channel subfamily H member 2 ligand SureCN3122399 family
Superfamily CFSBM501 Renin and Potassium voltage-gated channel subfamily H member 2 Binder Superfamily
Class CFCBM74 Class 3124
External ID CHEMBL1270661 External Source CHEMBL
PubChem CID 12001701 Functional Category Bioactive
Molecule Name SureCN3091553
IUPAC Name (3R,4S)-N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide
Synonyms CHEBI:809906
InChi InChI=1S/C33H38Cl2N2O3/c1-21-17-30(34)32(31(35)18-21)40-16-15-39-27-11-7-24(8-12-27)28-13-14-36-19-29(28)33(38)37(26-9-10-26)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,17-18,26,28-29,36H,9-10,13-16,19-20H2,1-3H3/t28-,29+/m1/s1
InChiKey PEFPYUBFXFOFOB-WDYNHAJCSA-N
Formula C33H38Cl2N2O3 Molecular Weight 581.57
Cross Link CHEMBL1270661
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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