CFam Chemical Families Database
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You are searching for "CFAMM00359114" in compound.

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CFAM Mol ID CFAMM00359114
Family CFFBM4813 Reverse transcriptase/RNaseH inhibitor Dipyridodiazepinone deriv. 61 family
Superfamily CFSCD587 Smoothened homolog Inhibitor LDE225 Superfamily
Class CFCCD350 Class 1163
External ID CHEMBL144035 External Source CHEMBL
PubChem CID 5327612 Functional Category Bioactive
Molecule Name Dipyridodiazepinone deriv. 61
IUPAC Name 11-ethyl-5-methyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-dipyrido[2,3-b:2',3'-f][1,4]diazepin-6-one
Synonyms 5,11-Dihydro-11-ethyl-5-methyl-2-(4-hydroxyphenyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
InChi InChI=1S/C20H18N4O2/c1-3-24-18-15(5-4-12-21-18)20(26)23(2)17-11-10-16(22-19(17)24)13-6-8-14(25)9-7-13/h4-12,25H,3H2,1-2H3
InChiKey AYCCBDPQSLELEH-UHFFFAOYSA-N
Formula C20H18N4O2 Molecular Weight 346.38
Cross Link CHEMBL144035
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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