CFam Chemical Families Database
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You are searching for "CFAMM00165098" in compound.

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CFAM Mol ID CFAMM00165098
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 CHEMBL1256420 External Source CHEMBL
PubChem CID 52942861 Functional Category Bioactive
Molecule Name AGN-PC-09M5DM
IUPAC Name methyl 2-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]anilino]-1,3-benzoxazole-7-carboxylate
Synonyms CHEBI:805407;methyl 2-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]anilino]-1,3-benzoxazole-7-carboxylate
InChi InChI=1S/C31H35N9O3/c1-38-14-16-39(17-15-38)21-10-12-22(13-11-21)40-29-25(28(32)33-18-34-29)26(37-40)19-6-8-20(9-7-19)35-31-36-24-5-3-4-23(27(24)43-31)30(41)42-2/h3-9,18,21-22H,10-17H2,1-2H3,(H,35,36)(H2,32,33,34)/t21-,22+
Formula C31H35N9O3 Molecular Weight 581.67
Cross Link CHEMBL1256420

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).

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