CFam Chemical Families Database
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You are searching for "CFAMM00430429" in compound.

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CFAM Mol ID CFAMM00430429
Family CFFBM14811 Histamine H1 receptor ligand 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]-4-hydroxy-3-nitrochromen-2-one family
Superfamily CFSBM6434 Histamine H1 receptor ligand 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]-4-hydroxy-3-nitrochromen-2-one Superfamily
Class CFCID793 Class 2143
External ID ZINC20605087 External Source ZINC
PubChem CID 29091101 Functional Category Natural Product
Molecule Name AGN-PC-05GFDD
IUPAC Name 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methylchromen-2-one
Synonyms ZINC20605087;3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methylchromen-2-one
InChi InChI=1S/C23H25ClN2O4/c1-15-18-6-7-20(28)19(14-26-10-8-25(9-11-26)12-13-27)22(18)30-23(29)21(15)16-2-4-17(24)5-3-16/h2-7,27-28H,8-14H2,1H3/p+1
InChiKey FCHWYWVABSFBEA-UHFFFAOYSA-O
Formula C23H26ClN2O4+ Molecular Weight 429.92
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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