CFam Chemical Families Database
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You are searching for "CFAMM00606338" 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 CFAMM00606338
Family CFFPA11481 Putative Immunotherapeutic Nitriles In Patent US5728845 Family
Superfamily CFSBM4692 Beta-lactamase and Cholinesterase Binder Superfamily
Class CFCAD725 Class 725
External ID 54302781 External Source PubChem
PubChem CID 54302781 Functional Category Patent Compound
Molecule Name AGN-PC-0A8O7Z
IUPAC Name 3-(1-hydroxy-3-oxoisoquinolin-2-yl)-3-(4-methoxy-3-propoxyphenyl)propanenitrile
Synonyms 3-(1-hydroxy-3-oxoisoquinolin-2-yl)-3-(4-methoxy-3-propoxyphenyl)propanenitrile
InChi InChI=1S/C22H22N2O4/c1-3-12-28-20-13-16(8-9-19(20)27-2)18(10-11-23)24-21(25)14-15-6-4-5-7-17(15)22(24)26/h4-9,13-14,18,26H,3,10,12H2,1-2H3
InChiKey JJBPDFNFJKSQSS-UHFFFAOYSA-N
Formula C22H22N2O4 Molecular Weight 378.42
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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