CFam Chemical Families Database
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You are searching for "CFAMM00430784" in compound.

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CFAM Mol ID CFAMM00430784
Family CFFBM14875 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-2-(3-nitrophenyl)oxolane-2-carbonyl]amino]propanoic acid family
Superfamily CFSBM6447 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 15
Class CFCID1522 Class 2872
External ID CHEMBL71554 External Source CHEMBL
PubChem CID 44310538 Functional Category Bioactive
Molecule Name (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-(4-nitrophenyl)pyrrolidine-2-carbonyl]amino]propanoic acid
IUPAC Name (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-(4-nitrophenyl)pyrrolidine-2-carbonyl]amino]propanoic acid
Synonyms CHEBI:211877
InChi InChI=1S/C28H29N3O7/c1-37-24-6-3-7-25(38-2)26(24)19-10-8-18(9-11-19)17-22(28(33)34)29-27(32)23-5-4-16-30(23)20-12-14-21(15-13-20)31(35)36/h3,6-15,22-23H,4-5,16-17H2,1-2H3,(H,29,32)(H,33,34)/t22-,23-/m0/s1
InChiKey AAQGLFLATBVJPM-GOTSBHOMSA-N
Formula C28H29N3O7 Molecular Weight 519.55
Cross Link CHEMBL71554
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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