CFam Chemical Families Database
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You are searching for "CFAMM00453274" 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 CFAMM00453274
Family CFFBM19820 Sterol O-acyltransferase 1 inhibitor SureCN6152927 family
Superfamily CFSID2043 Renin Inhibitor Ro-66-1168 Superfamily
Class CFCCD20 Class 833
External ID CHEMBL442567 External Source CHEMBL
PubChem CID 44590617 Functional Category Bioactive
Molecule Name AGN-PC-077SGO
IUPAC Name 1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[[1,4-bis(3-methoxyphenyl)piperidin-4-yl]methyl]urea;dihydrochloride
Synonyms CHEBI:618250;1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[[1,4-bis(3-methoxyphenyl)piperidin-4-yl]methyl]urea;dihydrochloride
InChi InChI=1S/C33H44N4O3.2ClH/c1-22(2)29-18-25(34)19-30(23(3)4)31(29)36-32(38)35-21-33(24-9-7-11-27(17-24)39-5)13-15-37(16-14-33)26-10-8-12-28(20-26)40-6;;/h7-12,17-20,22-23H,13-16,21,34H2,1-6H3,(H2,35,36,38);2*1H
InChiKey LEXDWHVQVSIEHM-UHFFFAOYSA-N
Formula C33H46Cl2N4O3 Molecular Weight 617.65
Cross Link CHEMBL442567
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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