CFam Chemical Families Database
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You are searching for "CFAMM00258496" 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 CFAMM00258496
Family CFFID2061 Aromatase Inhibitor 3-(imidazolylmethyl)-4'-nitroflavone Family
Superfamily CFSCD64 Gamma-secretase subunit APH-1B Inhibitor E2012 Superfamily
Class CFCCD56 Class 869
External ID CHEMBL1688895 External Source CHEMBL
PubChem CID 51355433 Functional Category Bioactive
Molecule Name AGN-PC-093OVJ
IUPAC Name 4-(imidazol-1-ylmethyl)-7-[(3-nitrophenyl)methoxy]chromen-2-one
Synonyms CHEBI:1176917;4-(imidazol-1-ylmethyl)-7-[(3-nitrophenyl)methoxy]chromen-2-one
InChi InChI=1S/C20H15N3O5/c24-20-9-15(11-22-7-6-21-13-22)18-5-4-17(10-19(18)28-20)27-12-14-2-1-3-16(8-14)23(25)26/h1-10,13H,11-12H2
InChiKey SPIWIFUAIGGWMR-UHFFFAOYSA-N
Formula C20H15N3O5 Molecular Weight 377.35
Cross Link CHEMBL1688895
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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