CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00403574" in compound.

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CFAM Mol ID CFAMM00403574
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 CHEMBL2048080 External Source CHEMBL
PubChem CID 70688374 Functional Category Bioactive
Molecule Name 2-[1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
IUPAC Name 2-[1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
InChi InChI=1S/C31H45N9O2/c1-38(2)24-13-16-40(19-24)27(41)17-21-11-14-39(15-12-21)23-9-10-25(26(18-23)42-3)35-31-36-29-28(32-20-33-29)30(37-31)34-22-7-5-4-6-8-22/h9-10,18,20-22,24H,4-8,11-17,19H2,1-3H3,(H3,32,33,34,35,36,37)
Formula C31H45N9O2 Molecular Weight 575.75
Cross Link CHEMBL2048080

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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