CFam Chemical Families Database
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You are searching for "CFAMM00232710" in compound.

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CFAM Mol ID CFAMM00232710
Family CFFID1224 cGMP-inhibited 3',5'-cyclic phosphodiesterase A and Potassium voltage-gated channel subfamily H member 2 Ligand Vesnarinone Family
Superfamily CFSID989 Multidrug resistance protein 1 and Multidrug resistance-associated protein 1 Binder Superfamily
Class CFCCD246 Class 1059
External ID 13236301 External Source PubChem
PubChem CID 13236301 Functional Category Patent Compound
Molecule Name AGN-PC-00LMCP
IUPAC Name 5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-nitrobenzaldehyde
Synonyms Piperazine, 1-(3,4-dimethoxybenzoyl)-4-(3-formyl-4-nitrophenyl)-
InChi InChI=1S/C20H21N3O6/c1-28-18-6-3-14(12-19(18)29-2)20(25)22-9-7-21(8-10-22)16-4-5-17(23(26)27)15(11-16)13-24/h3-6,11-13H,7-10H2,1-2H3
InChiKey DIWRKYVGQWXMSU-UHFFFAOYSA-N
Formula C20H21N3O6 Molecular Weight 399.40
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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