CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00028021" 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 CFAMM00028021
Family CFFAD161 Reverse transcriptase Inhibitor Nevirapine Family
Superfamily CFSAD150 Reverse transcriptase Inhibitor Nevirapine Superfamily
Class CFCAD148 Class 148
External ID ZINC20762106 External Source ZINC
PubChem CID 29147817 Functional Category Natural Product
Molecule Name 3-methyl-4-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinazoline-2-carboxamide
IUPAC Name 3-methyl-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-2-carboxamide
Synonyms STOCK1N-72866;MolPort-008-347-013;ZINC20762106;MCULE-7005380172;3-methyl-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-2-carboxamide
InChi InChI=1S/C16H14N4O2/c1-20-14(15(21)18-10-11-5-4-8-17-9-11)19-13-7-3-2-6-12(13)16(20)22/h2-9H,10H2,1H3,(H,18,21)
InChiKey YKBQQLAFKJFEHX-UHFFFAOYSA-N
Formula C16H14N4O2 Molecular Weight 294.31
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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