Chemical Components in the PDB

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FYE : Summary

Code

FYE

One-letter code

X

Molecule name

6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide

Formula

C17 H18 F N O4

Formal charge

0

Molecular weight

319.328 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2
SMILES OpenEye OEToolkits 2.0.6 c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O
Canonical SMILES CACTVS 3.385 OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O

IUPAC InChI

InChI=1S/C17H18FNO4/c18-11-4-5-14-12(8-11)13(20)9-15(23-14)16(21)19-10-17(22)6-2-1-3-7-17/h4-5,8-9,22H,1-3,6-7,10H2,(H,19,21)

IUPAC InChI key

PHMBHONIMDVOKO-UHFFFAOYSA-N
FYE

wwPDB Information

Atom count

41 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-17

Last modified at

2019-03-29

Status

Released

Obsoleted

Not Assigned