CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00165112" 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 CFAMM00165112
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 CHEMBL1256419 External Source CHEMBL
PubChem CID 52950016 Functional Category Bioactive
Molecule Name AGN-PC-09M9WA
IUPAC Name 2-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]anilino]-1,3-benzoxazole-7-carbonitrile
Synonyms CHEBI:805406;2-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]anilino]-1,3-benzoxazole-7-carbonitrile
InChi InChI=1S/C30H32N10O/c1-38-13-15-39(16-14-38)22-9-11-23(12-10-22)40-29-25(28(32)33-18-34-29)26(37-40)19-5-7-21(8-6-19)35-30-36-24-4-2-3-20(17-31)27(24)41-30/h2-8,18,22-23H,9-16H2,1H3,(H,35,36)(H2,32,33,34)/t22-,23+
Formula C30H32N10O Molecular Weight 548.64
Cross Link CHEMBL1256419

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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