CFam Chemical Families Database
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You are searching for "CFAMM00238121" in compound.

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CFAM Mol ID CFAMM00238121
Family CFFID1414 Cytochrome P450 1B1 Inhibitor N-(2,4-dimethoxy-phenyl)-3,5-dimethoxy-benzamide Family
Superfamily CFSID190 Cytochrome P450 1B1 and Liver carboxylesterase 1 Binder Superfamily
Class CFCID132 Class 1482
External ID ZINC12883079 External Source ZINC
PubChem CID 16404155 Functional Category Natural Product
Molecule Name (S)-N-(3-fluorophenyl)-2-((14-methoxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c][1]oxacyclotetradecin-16-yl)oxy)acetamide
IUPAC Name N-(3-fluorophenyl)-2-[[(11S)-17-methoxy-11-methyl-7,13-dioxo-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-15-yl]oxy]acetamide
Synonyms MolPort-002-531-354;ZINC12883079;MCULE-8118924587
InChi InChI=1S/C27H32FNO6/c1-18-8-6-13-22(30)12-5-3-4-9-19-14-23(33-2)16-24(26(19)27(32)35-18)34-17-25(31)29-21-11-7-10-20(28)15-21/h7,10-11,14-16,18H,3-6,8-9,12-13,17H2,1-2H3,(H,29,31)/t18-/m0/s1
InChiKey VERWVYCTKWSCIK-SFHVURJKSA-N
Formula C27H32FNO6 Molecular Weight 485.54
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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