CFam Chemical Families Database
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You are searching for "CFAMM00569251" in compound.

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CFAM Mol ID CFAMM00569251
Family CFFNP3078 methyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate NP Methyl 2-(7-bromobenzo[b]oxepine-4-carboxamido)benzoate Family
Superfamily CFSID2506 Beta-ketoacyl-acyl carrier protein synthase III Inhibitor 2-(4-bromo-3-phenoxy-benzoylamino)-benzoic Acid Superfamily
Class CFCID1485 Class 2835
External ID ZINC12274582 External Source ZINC
PubChem CID 17015436 Functional Category Natural Product
Molecule Name methyl 2-(7-bromobenzo[b]oxepine-4-carboxamido)benzoate
IUPAC Name methyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
Synonyms STOCK1N-71767;MolPort-005-290-138;STL120457;ZINC12274582;AKOS001557033;MCULE-2907709905;ST50790643;methyl 2-(7-bromobenzo[b]oxepine-4-carboxamido)be;F3375-1753;methyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate
InChi InChI=1S/C19H14BrNO4/c1-24-19(23)15-4-2-3-5-16(15)21-18(22)12-8-9-25-17-7-6-14(20)11-13(17)10-12/h2-11H,1H3,(H,21,22)
InChiKey NBQJWGVKTRHBMT-UHFFFAOYSA-N
Formula C19H14BrNO4 Molecular Weight 400.22
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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