CFam Chemical Families Database
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You are searching for "CFAMM00389521" in compound.

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CFAM Mol ID CFAMM00389521
Family CFFBM8649 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2R)-2-methyloxolane-2-carbonyl]amino]propanoic acid family
Superfamily CFSCD280 Integrin alpha-4 Inhibitor Firategrast Superfamily
Class CFCAD65 Class 65
External ID ZINC02091417 External Source ZINC
PubChem CID 1748447 Functional Category Natural Product
Molecule Name AC1LXAC9
IUPAC Name (2S,3S)-3-methyl-2-[[(2S)-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]propanoyl]amino]pentanoate
Synonyms ZINC02091417;(2S,3S)-3-methyl-2-[[(2S)-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]propanoyl]amino]pentanoate
InChi InChI=1S/C22H27NO6/c1-5-12(3)19(21(25)26)23-20(24)13(4)28-16-9-11(2)10-17-18(16)14-7-6-8-15(14)22(27)29-17/h9-10,12-13,19H,5-8H2,1-4H3,(H,23,24)(H,25,26)/p-1/t12-,13-,19-/m0/s1
InChiKey PVLOUJCJHGPYTH-JMERFSKESA-M
Formula C22H26NO6- Molecular Weight 400.44
Cross Link
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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