CFam Chemical Families Database
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You are searching for "CFAMM00448367" 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 CFAMM00448367
Family CFFBM18623 Serine/threonine-protein kinase mTOR and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform inhibitor SureCN56039 family
Superfamily CFSBM530 Serine/threonine-protein kinase mTOR and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Binder Superfamily 3
Class CFCCD321 Class 1134
External ID CHEMBL566087 External Source CHEMBL
PubChem CID 44606474 Functional Category Bioactive
Molecule Name SureCN56289
IUPAC Name 1-methyl-3-[4-[4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]urea
Synonyms CHEBI:671637
InChi InChI=1S/C20H20F3N7O2/c1-24-19(31)26-12-4-2-11(3-5-12)16-27-17(29-8-14-6-13(29)9-32-14)15-7-25-30(18(15)28-16)10-20(21,22)23/h2-5,7,13-14H,6,8-10H2,1H3,(H2,24,26,31)/t13-,14-/m0/s1
InChiKey GBTSKWANNRXPIL-KBPBESRZSA-N
Formula C20H20F3N7O2 Molecular Weight 447.41
Cross Link CHEMBL566087
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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