CFam Chemical Families Database
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You are searching for "CFAMM00165108" in compound.

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CFAM Mol ID CFAMM00165108
Family CFFCD567 Serine/threonine-protein kinase mTOR Inhibitor INK128 Family
Superfamily CFSCD351 Adenosine receptor A2a and Serine/threonine-protein kinase mTOR Binder Superfamily
Class CFCCD257 Class 1070
External ID CHEMBL1257769 External Source CHEMBL
PubChem CID 20817086 Functional Category Bioactive
Molecule Name SureCN6430510
IUPAC Name N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1,3-benzoxazol-2-amine
Synonyms SureCN6430512;SureCN6431591;AGN-PC-0308GZ;CHEBI:806772;N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1,3-benzoxazol-2-amine
InChi InChI=1S/C29H33N9O/c1-36-14-16-37(17-15-36)21-10-12-22(13-11-21)38-28-25(27(30)31-18-32-28)26(35-38)19-6-8-20(9-7-19)33-29-34-23-4-2-3-5-24(23)39-29/h2-9,18,21-22H,10-17H2,1H3,(H,33,34)(H2,30,31,32)/t21-,22+
InChiKey PSLLUEPNSLSABN-SZPZYZBQSA-N
Formula C29H33N9O Molecular Weight 523.63
Cross Link CHEMBL1257769
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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