CFAM Mol ID	CFAMM00435661
Family	CFFBM15703 Integrin beta-3 and Integrin alpha-V inhibitor (3R)-3-(1,3-benzodioxol-5-yl)-3-[[(3R)-5-oxo-1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]pyrrolidine-3-carbonyl]amino]propanoic acid family
Superfamily	CFSID2854 Genome polyprotein Inhibitor Azapeptide Derivative Superfamily
Class	CFCCD141 Class 954
External ID	CHEMBL318915	External Source	CHEMBL
PubChem CID	44330086	Functional Category	Bioactive
Molecule Name	(3R)-3-(1,3-benzodioxol-5-yl)-3-[[(3R)-5-oxo-1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]pyrrolidine-3-carbonyl]amino]propanoic acid
IUPAC Name	(3R)-3-(1,3-benzodioxol-5-yl)-3-[[(3R)-5-oxo-1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]pyrrolidine-3-carbonyl]amino]propanoic acid
Synonyms	CHEBI:260890
InChi	InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19-/m1/s1
InChiKey	DRZSFOQHHTVBQV-VQIMIIECSA-N
Formula	C25H27N5O6	Molecular Weight	493.51
Cross Link	CHEMBL318915
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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