CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00403572" 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 CFAMM00403572
Family CFFBM10670 Dual specificity protein kinase TTK inhibitor 2-[1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone family
Superfamily CFSBM492 Dihydrofolate reductase and Dual specificity protein kinase TTK Binder Superfamily
Class CFCCD18 Class 831
External ID CHEMBL2047970 External Source CHEMBL
PubChem CID 68456113 Functional Category Bioactive
Molecule Name [1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-morpholin-4-ylmethanone
IUPAC Name [1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-morpholin-4-ylmethanone
Synonyms SureCN2955531
InChi InChI=1S/C28H38N8O3/c1-38-23-17-21(35-11-9-19(10-12-35)27(37)36-13-15-39-16-14-36)7-8-22(23)32-28-33-25-24(29-18-30-25)26(34-28)31-20-5-3-2-4-6-20/h7-8,17-20H,2-6,9-16H2,1H3,(H3,29,30,31,32,33,34)
Formula C28H38N8O3 Molecular Weight 534.65
Cross Link CHEMBL2047970

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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National University of Singapore, Singapore

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