CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00403577" in compound.

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CFAM Mol ID CFAMM00403577
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 CHEMBL2047969 External Source CHEMBL
PubChem CID 70696649 Functional Category Bioactive
Molecule Name [1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
IUPAC Name [1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
InChi InChI=1S/C30H43N9O2/c1-37(2)23-13-16-39(18-23)29(40)20-11-14-38(15-12-20)22-9-10-24(25(17-22)41-3)34-30-35-27-26(31-19-32-27)28(36-30)33-21-7-5-4-6-8-21/h9-10,17,19-21,23H,4-8,11-16,18H2,1-3H3,(H3,31,32,33,34,35,36)
Formula C30H43N9O2 Molecular Weight 561.72
Cross Link CHEMBL2047969

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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