CFam Chemical Families Database
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You are searching for "CFAMM00095076" in compound.

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CFAM Mol ID CFAMM00095076
Family CFFAD684 Prostaglandin G/H synthase 2 Inhibitor Niflumic Acid Family
Superfamily CFSAD580 Prostaglandin G/H synthase 2 Inhibitor Niflumic Acid Superfamily
Class CFCAD528 Class 528
External ID ZINC41150210 External Source ZINC
PubChem CID 52110145 Functional Category Natural Product
Molecule Name AGN-PC-09BLNB
IUPAC Name 3-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]benzoate
Synonyms ZINC41150210;3-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]benzoate
InChi InChI=1S/C18H18N4O3/c23-10-4-9-19-16-14-7-1-2-8-15(14)21-18(22-16)20-13-6-3-5-12(11-13)17(24)25/h1-3,5-8,11,23H,4,9-10H2,(H,24,25)(H2,19,20,21,22)/p-1
InChiKey KNKKKBNQAUVVDM-UHFFFAOYSA-M
Formula C18H17N4O3- Molecular Weight 337.35
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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