CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00264375" 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 CFAMM00264375
Family CFFID2285 C-X-C chemokine receptor type 3 Ligand AMG-487 Family
Superfamily CFSCD587 Smoothened homolog Inhibitor LDE225 Superfamily
Class CFCCD350 Class 1163
External ID CHEMBL146828 External Source CHEMBL
PubChem CID 464543 Functional Category Bioactive
Molecule Name Nevirapin 4-substituted deriv. 4x
IUPAC Name 4-[(11-cyclopropyl-6-oxo-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-4-yl)methoxy]benzonitrile
Synonyms AC1LA9ZK;11-Cyclopropyl-5,11-dihydro-4-[[(4-cyanophenyl)oxy]methyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
InChi InChI=1S/C22H17N5O2/c23-12-14-3-7-17(8-4-14)29-13-15-9-11-25-21-19(15)26-22(28)18-2-1-10-24-20(18)27(21)16-5-6-16/h1-4,7-11,16H,5-6,13H2,(H,26,28)
InChiKey HWSRBAVEDUKVGS-UHFFFAOYSA-N
Formula C22H17N5O2 Molecular Weight 383.40
Cross Link CHEMBL146828
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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