CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00389518" in compound.

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CFAM Mol ID CFAMM00389518
Family CFFBM8649 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2R)-2-methyloxolane-2-carbonyl]amino]propanoic acid family
Superfamily CFSCD280 Integrin alpha-4 Inhibitor Firategrast Superfamily
Class CFCAD65 Class 65
External ID CHEMBL288899 External Source CHEMBL
PubChem CID 44284172 Functional Category Bioactive
Molecule Name (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2R)-2-(3-hydroxypropyl)oxolane-2-carbonyl]amino]propanoic acid
IUPAC Name (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2R)-2-(3-hydroxypropyl)oxolane-2-carbonyl]amino]propanoic acid
Synonyms CHEBI:152890
InChi InChI=1S/C25H31NO7/c1-31-20-6-3-7-21(32-2)22(20)18-10-8-17(9-11-18)16-19(23(28)29)26-24(30)25(12-4-14-27)13-5-15-33-25/h3,6-11,19,27H,4-5,12-16H2,1-2H3,(H,26,30)(H,28,29)/t19-,25+/m0/s1
Formula C25H31NO7 Molecular Weight 457.52
Cross Link CHEMBL288899

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).

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National University of Singapore, Singapore

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