CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00433052" 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 CFAMM00433052
Family CFFBM15259 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-pyridin-3-ylpyrrolidine-2-carbonyl]amino]propanoic acid family
Superfamily CFSBM3888 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 5
Class CFCBM1436 Class 4486
External ID CHEMBL67674 External Source CHEMBL
PubChem CID 44308037 Functional Category Bioactive
Molecule Name (2S)-3-[4-(2-methoxyphenyl)phenyl]-2-[(1-pyridazin-4-ylcyclopentanecarbonyl)amino]propanoic acid
IUPAC Name (2S)-3-[4-(2-methoxyphenyl)phenyl]-2-[(1-pyridazin-4-ylcyclopentanecarbonyl)amino]propanoic acid
Synonyms CHEBI:206149
InChi InChI=1S/C26H27N3O4/c1-33-23-7-3-2-6-21(23)19-10-8-18(9-11-19)16-22(24(30)31)29-25(32)26(13-4-5-14-26)20-12-15-27-28-17-20/h2-3,6-12,15,17,22H,4-5,13-14,16H2,1H3,(H,29,32)(H,30,31)/t22-/m0/s1
Formula C26H27N3O4 Molecular Weight 445.51
Cross Link CHEMBL67674

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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