CFam Chemical Families Database
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You are searching for "CFAMM00332352" 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 CFAMM00332352
Family CFFBM2299 RAC-alpha serine/threonine-protein kinase inhibitor (2S)-3-amino-1-[4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(3,4-dichlorophenyl)propan-1-one family
Superfamily CFSBM1281 D(2) dopamine receptor and D(3) dopamine receptor Binder Superfamily 13
Class CFCID987 Class 2337
External ID CHEMBL1258900 External Source CHEMBL
PubChem CID 52941556 Functional Category Bioactive
Molecule Name SureCN13229981
IUPAC Name (2S)-2-(aminomethyl)-3-(4-chlorophenyl)-1-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
Synonyms CHEBI:807915
InChi InChI=1S/C21H25ClN6O/c1-14-12-24-19-18(14)20(26-13-25-19)27-6-8-28(9-7-27)21(29)16(11-23)10-15-2-4-17(22)5-3-15/h2-5,12-13,16H,6-11,23H2,1H3,(H,24,25,26)/t16-/m0/s1
InChiKey AZNVXQYYCANOTA-INIZCTEOSA-N
Formula C21H25ClN6O Molecular Weight 412.92
Cross Link CHEMBL1258900
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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