CFMMC   Click here for help

GtoPdb Ligand ID: 6340

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 51.91
Molecular weight 389.2
XLogP 4.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1c(OCCN2CCOCC2)cc2c(c1F)c(=O)c(co2)C1CCCCC1
Isomeric SMILES Cc1c(OCCN2CCOCC2)cc2c(c1F)c(=O)c(co2)C1CCCCC1
InChI InChI=1S/C22H28FNO4/c1-15-18(27-12-9-24-7-10-26-11-8-24)13-19-20(21(15)23)22(25)17(14-28-19)16-5-3-2-4-6-16/h13-14,16H,2-12H2,1H3
InChI Key PHQKNLJAPYWXQQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-cyclohexyl-5-fluoro-6-methyl-7-[2-(morpholin-4-yl)ethoxy]-4H-chromen-4-one
Database Links Click here for help
GtoPdb PubChem SID 178102958
PubChem CID 73755208
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