CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00022386" in compound.

Total 1 results found.

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 CFAMM00022386
Family CFFAD120 Cytochrome P450 3A4 Inhibitor Clotrimazole Family
Superfamily CFSAD114 Cytochrome P450 3A4 Inhibitor Clotrimazole Superfamily
Class CFCAD113 Class 113
External ID 23337919 External Source PubChem
PubChem CID 23337919 Functional Category Patent Compound
Molecule Name AGN-PC-041KML
IUPAC Name 4-[3-(imidazol-1-ylmethyl)phenyl]butanenitrile
Synonyms SureCN11477021;4-[3-(imidazol-1-ylmethyl)phenyl]butanenitrile
InChi InChI=1S/C14H15N3/c15-7-2-1-4-13-5-3-6-14(10-13)11-17-9-8-16-12-17/h3,5-6,8-10,12H,1-2,4,11H2
InChiKey XDKUNCCYMZNXMO-UHFFFAOYSA-N
Formula C14H15N3 Molecular Weight 225.29
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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