CFam Chemical Families Database
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You are searching for "CFAMM00144005" 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 CFAMM00144005
Family CFFCD221 HER Inhibitor AC480 Family
Superfamily CFSCD54 HER and Macrophage migration inhibitory factor Binder Superfamily
Class CFCCD47 Class 860
External ID DCL000343 External Source TTD
PubChem CID 46930994 Functional Category Clinical Trial Drug
Molecule Name BMS-599626
IUPAC Name [(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate;hydrochloride
Synonyms BMS-599626;BMS599626;AC-480;BMS 599626;AC480, BMS-599626;S1056_Selleck;BMS-599626 Hydrochloride;cc-199;BMS-599626 HCl;MolPort-016-633-173
InChi InChI=1S/C27H27FN8O3.ClH/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18;/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33);1H/t22-;/m0./s1
InChiKey COUSSRGSHIJMMN-FTBISJDPSA-N
Formula C27H28ClFN8O3 Molecular Weight 567.01
Cross Link
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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