CFam Chemical Families Database
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You are searching for "CFAMM00371164" in compound.

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CFAM Mol ID CFAMM00371164
Family CFFBM6258 Integrin beta-1 and Integrin alpha-4 inhibitor SureCN6367561 family
Superfamily CFSBM3534 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 3
Class CFCID1105 Class 2455
External ID CHEMBL43213 External Source CHEMBL
PubChem CID 44288627 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
IUPAC Name (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
Synonyms CHEBI:162546
InChi InChI=1S/C26H29Cl2N3O8S/c1-26(7-2-8-31(26)40(36,37)21-15-18(27)14-19(28)16-21)24(34)29-22(23(32)33)13-17-3-5-20(6-4-17)39-25(35)30-9-11-38-12-10-30/h3-6,14-16,22H,2,7-13H2,1H3,(H,29,34)(H,32,33)/t22-,26-/m0/s1
InChiKey LDWAIULYHJTVQT-NVQXNPDNSA-N
Formula C26H29Cl2N3O8S Molecular Weight 614.49
Cross Link CHEMBL43213
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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