CFam Chemical Families Database
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You are searching for "CFAMM00430033" 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 CFAMM00430033
Family CFFBM14742 Integrin beta-3 and Integrin alpha-V inhibitor (3S)-3-(3-fluorophenyl)-3-[[2-[6-methyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)pyrazin-1-yl]acetyl]amino]propanoic acid family
Superfamily CFSBM2899 Integrin beta-3 and Integrin alpha-V Binder Superfamily 12
Class CFCAD639 Class 639
External ID CHEMBL53122 External Source CHEMBL
PubChem CID 44296824 Functional Category Bioactive
Molecule Name (3S)-3-[[2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)pyrazin-1-yl]acetyl]amino]-3-(3-fluorophenyl)propanoic acid
IUPAC Name (3S)-3-[[2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)pyrazin-1-yl]acetyl]amino]-3-(3-fluorophenyl)propanoic acid
Synonyms CHEBI:180082
InChi InChI=1S/C27H29FN6O4/c28-19-5-1-3-18(11-19)21(12-24(36)37)33-23(35)15-34-22(16-6-7-16)14-31-26(27(34)38)30-13-20-9-8-17-4-2-10-29-25(17)32-20/h1,3,5,8-9,11,14,16,21H,2,4,6-7,10,12-13,15H2,(H,29,32)(H,30,31)(H,33,35)(H,36,37)/t21-/m0/s1
InChiKey PLPDPJUYPOKPOK-NRFANRHFSA-N
Formula C27H29FN6O4 Molecular Weight 520.56
Cross Link CHEMBL53122
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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