CFam Chemical Families Database
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You are searching for "CFAMM00264392" 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 CFAMM00264392
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 CHEMBL145893 External Source CHEMBL
PubChem CID 464573 Functional Category Bioactive
Molecule Name Nevirapin 2,4-Disubstituted deriv. 13g
IUPAC Name 11-ethyl-2-(3-methoxyphenyl)-4-(phenoxymethyl)-5H-dipyrido[2,3-b:2',3'-f][1,4]diazepin-6-one
Synonyms AC1LAA1T;5,11-Dihydro-11-ethyl-2-(3-methoxyphenyl)-4-(phenyloxymethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
InChi InChI=1S/C27H24N4O3/c1-3-31-25-22(13-8-14-28-25)27(32)30-24-19(17-34-20-10-5-4-6-11-20)16-23(29-26(24)31)18-9-7-12-21(15-18)33-2/h4-16H,3,17H2,1-2H3,(H,30,32)
InChiKey TYDVPCBPUZHUSX-UHFFFAOYSA-N
Formula C27H24N4O3 Molecular Weight 452.50
Cross Link CHEMBL145893
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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