CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00306819" in compound.

Total 1 results found.

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 CFAMM00306819
Family CFFBM77 Integrin beta-1 and Integrin alpha-4 inhibitor (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-[3-methoxypropyl-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]amino]propanoic acid family
Superfamily CFSID2854 Genome polyprotein Inhibitor Azapeptide Derivative Superfamily
Class CFCCD141 Class 954
External ID CHEMBL505452 External Source CHEMBL
PubChem CID 15945874 Functional Category Bioactive
Molecule Name SureCN5297520
IUPAC Name ethyl 4-[[(2S)-3-(4-hydroxyphenyl)-1-[[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]benzoate
Synonyms
InChi InChI=1S/C30H34N4O6/c1-2-40-29(38)22-7-9-23(10-8-22)32-30(39)33-27(17-20-3-11-25(35)12-4-20)28(37)31-24-15-16-34(19-24)18-21-5-13-26(36)14-6-21/h3-14,24,27,35-36H,2,15-19H2,1H3,(H,31,37)(H2,32,33,39)/t24?,27-/m0/s1
InChiKey XKCJLNBEKXPHNT-WKDCXCOVSA-N
Formula C30H34N4O6 Molecular Weight 546.61
Cross Link CHEMBL505452
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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