CFam Chemical Families Database
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You are searching for "CFAMM00575950" in compound.

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CFAM Mol ID CFAMM00575950
Family CFFNP4924 Putative NP ZINC02417403 Family
Superfamily CFSNP503 1-benzofuran-3-one NP (z)-2-(4-chlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl Furan-2-carboxylate and orobenzoate NP 3-(2-methoxyphenyl)-2-methyl-4-oxo-4h-chromen-7-yl 2-chlorobenzoate Superfamily
Class CFCID1088 Class 2438
External ID ZINC01915088 External Source ZINC
PubChem CID 1645238 Functional Category Natural Product
Molecule Name {[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetonitrile
IUPAC Name 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetonitrile
Synonyms ZINC01915088;AC1LV2ZJ;STOCK3S-77105;MolPort-000-219-043;STK888909;AKOS002181119;MCULE-2977409201;AB01286246-01;F3139-1147;2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetonitrile
InChi InChI=1S/C18H9ClF3NO3/c19-11-3-1-10(2-4-11)15-16(24)13-6-5-12(25-8-7-23)9-14(13)26-17(15)18(20,21)22/h1-6,9H,8H2
InChiKey OIYRCXLOPHSZGL-UHFFFAOYSA-N
Formula C18H9ClF3NO3 Molecular Weight 379.72
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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