CFam Chemical Families Database
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You are searching for "CFAMM00167390" in compound.

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CFAM Mol ID CFAMM00167390
Family CFFCD657 Smoothened homolog Inhibitor LDE225 Family
Superfamily CFSCD587 Smoothened homolog Inhibitor LDE225 Superfamily
Class CFCCD350 Class 1163
External ID CHEMBL1645019 External Source CHEMBL
PubChem CID 50942116 Functional Category Bioactive
Molecule Name AGN-PC-08WTG1
IUPAC Name [4-methoxy-3-(2-pyridin-2-ylethynyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
Synonyms SureCN4320875;CHEBI:1160078;[4-methoxy-3-(2-pyridin-2-ylethynyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
InChi InChI=1S/C24H22N4O2/c1-30-22-11-9-20(18-19(22)8-10-21-6-2-4-12-25-21)24(29)28-16-14-27(15-17-28)23-7-3-5-13-26-23/h2-7,9,11-13,18H,14-17H2,1H3
InChiKey IHELWHOGIXQUBH-UHFFFAOYSA-N
Formula C24H22N4O2 Molecular Weight 398.46
Cross Link CHEMBL1645019
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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