CFam Chemical Families Database
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You are searching for "CFAMM00454921" 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 CFAMM00454921
Family CFFBM20200 Targeted effector protein and Tyrosine-protein phosphatase non-receptor type 1 ligand AGN-PC-080DLR family
Superfamily CFSBM7846 Cruzipain and Beta-lactamase Binder Superfamily 15
Class CFCBM1581 Class 4631
External ID CHEMBL1240797 External Source CHEMBL
PubChem CID 46938650 Functional Category Bioactive
Molecule Name AGN-PC-080DOQ
IUPAC Name 2-[4-[[3-[[4-(3,4-dichlorophenoxy)phenyl]carbamoyl]-4-[(4-oxalophenoxy)methyl]phenyl]methoxy]phenyl]-2-oxoacetic acid
Synonyms CHEBI:800009;2-[4-[[3-[[4-(3,4-dichlorophenoxy)phenyl]carbamoyl]-4-[(4-oxalophenoxy)methyl]phenyl]methoxy]phenyl]-2-oxoacetic acid
InChi InChI=1S/C37H25Cl2NO10/c38-31-16-15-29(18-32(31)39)50-28-13-7-25(8-14-28)40-35(43)30-17-21(19-48-26-9-3-22(4-10-26)33(41)36(44)45)1-2-24(30)20-49-27-11-5-23(6-12-27)34(42)37(46)47/h1-18H,19-20H2,(H,40,43)(H,44,45)(H,46,47)
InChiKey VUOYIQPLEBJSJW-UHFFFAOYSA-N
Formula C37H25Cl2NO10 Molecular Weight 714.50
Cross Link CHEMBL1240797
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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