CFam Chemical Families Database
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You are searching for "CFAMM00445054" in compound.

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CFAM Mol ID CFAMM00445054
Family CFFBM17916 P2X purinoceptor 3 and P2X purinoceptor 2 inhibitor 2-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol family
Superfamily CFSBM7182 P2X purinoceptor 2 and P2X purinoceptor 3 Binder Superfamily
Class CFCCD395 Class 1208
External ID CHEMBL492934 External Source CHEMBL
PubChem CID 44573289 Functional Category Bioactive
Molecule Name 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
IUPAC Name 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
Synonyms AGN-PC-0792QL;5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
InChi InChI=1S/C17H23IN4O4S/c1-10(2)11-7-14(25-3)12(18)8-13(11)26-15-9-21-17(22-16(15)19)20-5-6-27(4,23)24/h7-10H,5-6H2,1-4H3,(H3,19,20,21,22)
InChiKey AAAAEENPAALFRN-UHFFFAOYSA-N
Formula C17H23IN4O4S Molecular Weight 506.36
Cross Link CHEMBL492934
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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