CFAM Mol ID	CFAMM00422892
Family	CFFBM13547 Integrin beta-3 and Integrin alpha-V inhibitor (3S)-3-(3,5-dichloro-2-hydroxyphenyl)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid family
Superfamily	CFSBM6080 Integrin beta-3 and Integrin alpha-V Binder Superfamily 22
Class	CFCBM1936 Class 4986
External ID	CHEMBL242286	External Source	CHEMBL
PubChem CID	44429165	Functional Category	Bioactive
Molecule Name	(3R)-3-(3,5-dimethylphenyl)-3-[[2-[[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxybenzoyl]amino]acetyl]amino]propanoic acid
IUPAC Name	(3R)-3-(3,5-dimethylphenyl)-3-[[2-[[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxybenzoyl]amino]acetyl]amino]propanoic acid
Synonyms	CHEBI:492058
InChi	InChI=1S/C24H28FN5O5/c1-13-3-14(2)5-15(4-13)20(9-22(33)34)30-21(32)12-26-23(35)16-6-18(8-19(31)7-16)29-24-27-10-17(25)11-28-24/h3-8,17,20,31H,9-12H2,1-2H3,(H,26,35)(H,30,32)(H,33,34)(H2,27,28,29)/t20-/m1/s1
InChiKey	QCDPTZILQWUNEY-HXUWFJFHSA-N
Formula	C24H28FN5O5	Molecular Weight	485.51
Cross Link	CHEMBL242286
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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