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- ChemComp-FDN: (5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,... -

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Basic information

EntryDatabase: PDB chemical components / ID: FDN
NameName: (5S)-3-anilino-5-(2,4-difluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione
Synonyms: 5-(2,4-DIFLUORO-PHENYL)-5-METHYL-3-PHENYLAMINO-OXAZOLIDINE-2,4-DIONE

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Chemical information

Composition
Formula: C16H12F2N2O3 / Number of atoms: 35 / Formula weight: 318.275 / Formal charge: 0
Others

2fyu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FDN / Model coordinates PDB-ID: 2FYU
History
Create componentFeb 10, 2006
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C2OC(C(=O)N2Nc1ccccc1)(c3ccc(F)cc3F)C
CACTVS 3.341C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(F)cc3F
OpenEye OEToolkits 1.5.0CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F

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SMILES CANONICAL

CACTVS 3.341C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(F)cc3F
OpenEye OEToolkits 1.5.0C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F

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InChI

InChI 1.03InChI=1S/C16H12F2N2O3/c1-16(12-8-7-10(17)9-13(12)18)14(21)20(15(22)23-16)19-11-5-3-2-4-6-11/h2-9,19H,1H3/t16-/m0/s1

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InChIKey

InChI 1.03OZZFJGCAYWBVBI-INIZCTEOSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(5S)-5-(2,4-difluorophenyl)-5-methyl-3-(phenylamino)-1,3-oxazolidine-2,4-dione
OpenEye OEToolkits 1.5.0(5S)-5-(2,4-difluorophenyl)-5-methyl-3-phenylazanyl-1,3-oxazolidine-2,4-dione

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PDB entries

Showing all 1 items

PDB-2fyu:
Crystal structure of bovine heart mitochondrial bc1 with jg144 inhibitor

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