CFam Chemical Families Database
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You are searching for "CFAMM00590580" 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 CFAMM00590580
Family CFFPA1628 4-(pyridyl)- And 4-(oxo-pyridyl)-1 3-benzoxazines In Patent US5036068 Family
Superfamily CFSBM9467 Lethal factor and Cholinesterase Binder Superfamily
Class CFCCD189 Class 1002
External ID 19816909 External Source PubChem
PubChem CID 19816909 Functional Category Patent Compound
Molecule Name AGN-PC-02KI3D
IUPAC Name 4-(3-amino-5-bromopyridin-2-yl)oxy-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile
Synonyms SureCN9372871;4-(3-amino-5-bromopyridin-2-yl)oxy-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile
InChi InChI=1S/C16H13BrN4O2/c1-16(2)21-14(22-15-12(19)6-10(17)8-20-15)11-5-9(7-18)3-4-13(11)23-16/h3-6,8H,19H2,1-2H3
InChiKey GKKMZAXQFPZMCF-UHFFFAOYSA-N
Formula C16H13BrN4O2 Molecular Weight 373.20
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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