CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00445656" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00445656
Family CFFBM18053 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 ligand AGN-PC-07R6AO family
Superfamily CFSBM1314 Aurora kinase A and Receptor-type tyrosine-protein kinase FLT3 Binder Superfamily
Class CFCCD331 Class 1144
External ID CHEMBL501458 External Source CHEMBL
PubChem CID 44586569 Functional Category Bioactive
Molecule Name AGN-PC-077PY0
IUPAC Name 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]amino]quinoline-3-carbonitrile
Synonyms CHEBI:609682;6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]amino]quinoline-3-carbonitrile
InChi InChI=1S/C28H29F3N6O2S/c1-18-12-21-23(14-24(18)38-11-3-6-37-9-7-36(2)8-10-37)33-16-19(15-32)26(21)35-27-34-22-5-4-20(13-25(22)40-27)39-17-28(29,30)31/h4-5,12-14,16H,3,6-11,17H2,1-2H3,(H,33,34,35)
Formula C28H29F3N6O2S Molecular Weight 570.63
Cross Link CHEMBL501458

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).

Last update by



53955 visits since 2014 .........


Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

All rights reserved.

Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links


Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00445656'),None, txtsearch, CFAMM00445656|