CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00284541" 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 CFAMM00284541
Family CFFID3122 Cytochrome P450 2D6 Inhibitor 4-methylaminomethyl-7-methoxycoumarin Family
Superfamily CFSID2183 Cytochrome P450 2D6 Inhibitor 4-methylaminomethyl-7-methoxycoumarin Superfamily
Class CFCID1076 Class 2426
External ID ZINC20610098 External Source ZINC
PubChem CID 29093834 Functional Category Natural Product
Molecule Name AGN-PC-05GG23
IUPAC Name 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-methoxychromen-2-one
Synonyms ZINC20610098;4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-methoxychromen-2-one
InChi InChI=1S/C22H24N2O3/c1-26-19-7-8-20-18(13-22(25)27-21(20)14-19)16-24-11-9-23(10-12-24)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15-16H2,1H3/p+1
InChiKey GKYDCPFZGCYQEY-UHFFFAOYSA-O
Formula C22H25N2O3+ Molecular Weight 365.45
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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