CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00453780" in compound.

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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 CFAMM00453780
Family CFFBM19947 Progesterone receptor ligand AGN-PC-080PVV family
Superfamily CFSBM7751 Huntingtin and Prelamin-A/C Binder Superfamily 41
Class CFCBM1054 Class 4104
External ID CHEMBL1163975 External Source CHEMBL
PubChem CID 46906501 Functional Category Bioactive
Molecule Name AGN-PC-080Q4K
IUPAC Name 1-(3-methylphenyl)-3-(4-nitroanilino)-3-(3,4,5-trimethoxyphenyl)propan-1-one
Synonyms CHEBI:745162;1-(3-methylphenyl)-3-(4-nitroanilino)-3-(3,4,5-trimethoxyphenyl)propan-1-one
InChi InChI=1S/C25H26N2O6/c1-16-6-5-7-17(12-16)22(28)15-21(26-19-8-10-20(11-9-19)27(29)30)18-13-23(31-2)25(33-4)24(14-18)32-3/h5-14,21,26H,15H2,1-4H3
InChiKey MTVUDQFRNPOFDL-UHFFFAOYSA-N
Formula C25H26N2O6 Molecular Weight 450.48
Cross Link CHEMBL1163975
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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