CFam Chemical Families Database
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You are searching for "CFAMM00391046" in compound.

Total 1 results found.

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 CFAMM00391046
Family CFFBM8855 Vascular endothelial growth factor receptor 2 ligand urea deriv. 20 family
Superfamily CFSCD731 Tyrosine-protein kinase BTK Inhibitor CC-292 Superfamily
Class CFCCD521 Class 1334
External ID CHEMBL188997 External Source CHEMBL
PubChem CID 5329824 Functional Category Bioactive
Molecule Name urea deriv. 18
IUPAC Name 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]urea
Synonyms AC1NS7PE;SureCN13980543;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]urea
InChi InChI=1S/C27H24F4N6O3S/c1-37(24-13-14-32-25(36-24)33-19-6-3-17(4-7-19)16-41(2,39)40)21-10-8-20(9-11-21)34-26(38)35-23-15-18(27(29,30)31)5-12-22(23)28/h3-15H,16H2,1-2H3,(H,32,33,36)(H2,34,35,38)
InChiKey SPCZPSTVIFPUHB-UHFFFAOYSA-N
Formula C27H24F4N6O3S Molecular Weight 588.58
Cross Link CHEMBL188997
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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