CFam Chemical Families Database
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You are searching for "CFAMM00400260" in compound.

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CFAM Mol ID CFAMM00400260
Family CFFBM10188 Integrin beta-3 and Integrin alpha-V inhibitor (3S)-3-(1,3-benzodioxol-5-yl)-4-[3-[4-[(4-methylpyridin-2-yl)amino]butyl]-1,2,4-oxadiazol-5-yl]butanoic acid family
Superfamily CFSBM80 Plasminogen and Integrin beta-3 Binder Superfamily
Class CFCAD513 Class 513
External ID CHEMBL434191 External Source CHEMBL
PubChem CID 44407529 Functional Category Bioactive
Molecule Name (3S)-3-(1,3-benzodioxol-5-yl)-4-[3-[4-[(4-thiomorpholin-4-ylpyridin-2-yl)amino]butyl]-1,2,4-oxadiazol-5-yl]butanoic acid
IUPAC Name (3S)-3-(1,3-benzodioxol-5-yl)-4-[3-[4-[(4-thiomorpholin-4-ylpyridin-2-yl)amino]butyl]-1,2,4-oxadiazol-5-yl]butanoic acid
Synonyms CHEBI:438676
InChi InChI=1S/C26H31N5O5S/c32-26(33)15-19(18-4-5-21-22(13-18)35-17-34-21)14-25-29-23(30-36-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-37-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1
InChiKey GTSHXMCHGDUGRQ-IBGZPJMESA-N
Formula C26H31N5O5S Molecular Weight 525.62
Cross Link CHEMBL434191
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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