CFam Chemical Families Database
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You are searching for "CFAMM00399440" 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 CFAMM00399440
Family CFFBM10089 Rho-associated protein kinase 1 and cAMP-dependent protein kinase catalytic subunit alpha inhibitor CHEMBL2003514 family
Superfamily CFSBM608 Cathepsin K and Melatonin receptor type 1B Binder Superfamily
Class CFCAD666 Class 666
External ID CHEMBL459044 External Source CHEMBL
PubChem CID 44562721 Functional Category Bioactive
Molecule Name SureCN2022850
IUPAC Name N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
Synonyms AGN-PC-078W5L;CHEBI:552418;N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
InChi InChI=1S/C31H34N6O3/c1-4-39-26-10-5-6-11-27(26)40-30-25(29(38)35-28-21(2)8-7-9-22(28)3)20-33-31(36-30)34-23-12-14-24(15-13-23)37-18-16-32-17-19-37/h5-15,20,32H,4,16-19H2,1-3H3,(H,35,38)(H,33,34,36)
InChiKey HXBMTVMACYGAGE-UHFFFAOYSA-N
Formula C31H34N6O3 Molecular Weight 538.64
Cross Link CHEMBL459044
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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