CFam Chemical Families Database
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You are searching for "CFAMM00278990" in compound.

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CFAM Mol ID CFAMM00278990
Family CFFID2886 Renin Inhibitor Ro-66-1168 Family
Superfamily CFSID2043 Renin Inhibitor Ro-66-1168 Superfamily
Class CFCCD20 Class 833
External ID CHEMBL445926 External Source CHEMBL
PubChem CID 44401949 Functional Category Bioactive
Molecule Name (6S)-6-[[1-(3-hydroxypropyl)-3,4-dihydro-2H-quinolin-7-yl]oxymethyl]-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperazin-2-one
IUPAC Name (6S)-6-[[1-(3-hydroxypropyl)-3,4-dihydro-2H-quinolin-7-yl]oxymethyl]-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperazin-2-one
Synonyms CHEBI:425298
InChi InChI=1S/C34H43N3O6/c1-40-33-9-3-2-7-27(33)24-41-19-6-20-42-30-14-11-28(12-15-30)37-29(22-35-23-34(37)39)25-43-31-13-10-26-8-4-16-36(17-5-18-38)32(26)21-31/h2-3,7,9-15,21,29,35,38H,4-6,8,16-20,22-25H2,1H3/t29-/m0/s1
InChiKey HEFYJBZEIVFECQ-LJAQVGFWSA-N
Formula C34H43N3O6 Molecular Weight 589.72
Cross Link CHEMBL445926
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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