CFam Chemical Families Database
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You are searching for "CFAMM00376901" 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.

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CFAM Mol ID CFAMM00376901
Family CFFBM7073 Hepatocyte growth factor receptor and Insulin receptor ligand SureCN885864 family
Superfamily CFSAD146 Mast/stem cell growth factor receptor Kit and Abelson tyrosine-protein kinase 2 Inhibitor Imatinib Superfamily
Class CFCAD144 Class 144
External ID CHEMBL1939485 External Source CHEMBL
PubChem CID 57395429 Functional Category Bioactive
Molecule Name methyl N-[8-[[5-chloro-4-[2-fluoro-6-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-3-yl]carbamate;2,2,2-trifluoroacetic acid
IUPAC Name methyl N-[8-[[5-chloro-4-[2-fluoro-6-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-3-yl]carbamate;2,2,2-trifluoroacetic acid
Synonyms AGN-PC-0BTK21;methyl N-[8-[[5-chloro-4-[2-fluoro-6-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-3-yl]carbamate;2,2,2-trifluoroacetic acid
InChi InChI=1S/C26H27ClFN7O4.C2HF3O2/c1-26(2)11-19(33-25(38)39-4)23(37)32-18-10-13(8-9-15(18)26)31-24-30-12-16(27)21(35-24)34-20-14(22(36)29-3)6-5-7-17(20)28;3-2(4,5)1(6)7/h5-10,12,19H,11H2,1-4H3,(H,29,36)(H,32,37)(H,33,38)(H2,30,31,34,35);(H,6,7)
InChiKey BMMWMYXOCBSSCZ-UHFFFAOYSA-N
Formula C28H28ClF4N7O6 Molecular Weight 670.01
Cross Link CHEMBL1939485
Structure

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

 
2014.08.29
 

 

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Dr. Chen Yuzong

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


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