CFam Chemical Families Database
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You are searching for "CFAMM00414230" 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 CFAMM00414230
Family CFFBM12183 Proto-oncogene tyrosine-protein kinase Src inhibitor AGN-PC-00RYUW family
Superfamily CFSBM5696 Tyrosine-protein kinase ABL1 and Proto-oncogene tyrosine-protein kinase Src Binder Superfamily 2
Class CFCBM1488 Class 4538
External ID CHEMBL221742 External Source CHEMBL
PubChem CID 44419438 Functional Category Bioactive
Molecule Name N-[4-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-2-pyrrolidin-1-ylethanesulfonamide
IUPAC Name N-[4-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-2-pyrrolidin-1-ylethanesulfonamide
Synonyms CHEBI:467776
InChi InChI=1S/C28H32N6O2S/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)33-37(35,36)16-15-34-13-4-5-14-34/h6-12,17-18,33H,4-5,13-16H2,1-3H3,(H,29,30,32)
InChiKey PXYPMYUQQFJBDW-UHFFFAOYSA-N
Formula C28H32N6O2S Molecular Weight 516.66
Cross Link CHEMBL221742
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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