CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00375863" 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 CFAMM00375863
Family CFFBM6933 Bifunctional dihydrofolate reductase-thymidylate synthase inhibitor 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl benzoate family
Superfamily CFSBM3965 Cholinesterase and Beta-lactamase Binder Superfamily
Class CFCBM648 Class 3698
External ID ZINC41146347 External Source ZINC
PubChem CID 52108026 Functional Category Natural Product
Molecule Name AGN-PC-09BK43
IUPAC Name methyl 3-[(4-aminoquinazolin-3-ium-2-yl)amino]benzoate
Synonyms ZINC41146347;methyl 3-[(4-aminoquinazolin-3-ium-2-yl)amino]benzoate
InChi InChI=1S/C16H14N4O2/c1-22-15(21)10-5-4-6-11(9-10)18-16-19-13-8-3-2-7-12(13)14(17)20-16/h2-9H,1H3,(H3,17,18,19,20)/p+1
InChiKey RNVRWLMBVQWBGU-UHFFFAOYSA-O
Formula C16H15N4O2+ Molecular Weight 295.32
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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