CFam Chemical Families Database
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You are searching for "CFAMM00438726" in compound.

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CFAM Mol ID CFAMM00438726
Family CFFBM16600 Integrin beta-1 and Integrin alpha-5 inhibitor SureCN14453385 family
Superfamily CFSBM6078 Integrin beta-1 and Integrin alpha-5 Binder Superfamily 3
Class CFCCD147 Class 960
External ID CHEMBL390398 External Source CHEMBL
PubChem CID 16756622 Functional Category Bioactive
Molecule Name SureCN14453477
IUPAC Name (2S)-3-[[2-[(3R,5S)-1-(3,3-dimethylbutanoyl)-5-[[(4-methoxypyridin-2-yl)amino]methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
Synonyms CHEBI:486956
InChi InChI=1S/C32H45N5O7/c1-19-10-20(2)29(21(3)11-19)30(40)36-25(31(41)42)16-35-27(38)18-44-24-12-22(37(17-24)28(39)14-32(4,5)6)15-34-26-13-23(43-7)8-9-33-26/h8-11,13,22,24-25H,12,14-18H2,1-7H3,(H,33,34)(H,35,38)(H,36,40)(H,41,42)/t22-,24+,25-/m0/s1
InChiKey ZWFUXTUZVCZUMC-CAOCKLPOSA-N
Formula C32H45N5O7 Molecular Weight 611.73
Cross Link CHEMBL390398
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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