CFam Chemical Families Database
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You are searching for "CFAMM00375083" 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 CFAMM00375083
Family CFFBM6813 Integrin beta-1 and Integrin alpha-4 inhibitor SureCN5686971 family
Superfamily CFSBM3613 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 4
Class CFCBM87 Class 3137
External ID CHEMBL422168 External Source CHEMBL
PubChem CID 44372487 Functional Category Bioactive
Molecule Name (2S)-3-(4-cyanophenyl)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]propanoic acid
IUPAC Name (2S)-3-(4-cyanophenyl)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]propanoic acid
Synonyms CHEBI:363327
InChi InChI=1S/C22H21Cl2N3O5S/c1-22(7-2-8-27(22)33(31,32)18-11-16(23)10-17(24)12-18)21(30)26-19(20(28)29)9-14-3-5-15(13-25)6-4-14/h3-6,10-12,19H,2,7-9H2,1H3,(H,26,30)(H,28,29)/t19-,22-/m0/s1
InChiKey OJYKDVHESROECH-UGKGYDQZSA-N
Formula C22H21Cl2N3O5S Molecular Weight 510.39
Cross Link CHEMBL422168
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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