CFam Chemical Families Database
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You are searching for "CFAMM00449427" in compound.

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CFAM Mol ID CFAMM00449427
Family CFFBM18858 C-C chemokine receptor type 5 ligand AC1MHPAK family
Superfamily CFSCD163 C-C chemokine receptor type 5 Ligand Vicriviroc Superfamily
Class CFCCD11 Class 824
External ID CHEMBL465106 External Source CHEMBL
PubChem CID 44570307 Functional Category Bioactive
Molecule Name (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-(3-methylsulfonyl-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]methanone
IUPAC Name (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-(3-methylsulfonyl-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]methanone
Synonyms AGN-PC-0790P0;CHEBI:573101;(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-(3-methylsulfonyl-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]methanone
InChi InChI=1S/C29H41N5O3S/c1-22-26(23(2)31-21-30-22)27(35)32-15-10-28(3,11-16-32)33-17-12-29(13-18-33)14-19-34(38(4,36)37)20-25(29)24-8-6-5-7-9-24/h5-9,21,25H,10-20H2,1-4H3
InChiKey MEQWCAXCDAYHEV-UHFFFAOYSA-N
Formula C29H41N5O3S Molecular Weight 539.73
Cross Link CHEMBL465106
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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