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- ChemComp-FIL: (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBO... -

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Basic information

EntryDatabase: PDB chemical components / ID: FIL
NameName: (1E)-1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethanone O-(aminocarbonyl)oxime
Synonyms: FILAMINAST

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Chemical information

Composition
Formula: C15H20N2O4 / Number of atoms: 41 / Formula weight: 292.33 / Formal charge: 0
Others

1xlz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FIL / Model coordinates PDB-ID: 1XLZ
History
Create componentNov 17, 2004
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.341COc1ccc(cc1OC2CCCC2)C(C)=NOC(N)=O
OpenEye OEToolkits 1.5.0CC(=NOC(=O)N)c1ccc(c(c1)OC2CCCC2)OC

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SMILES CANONICAL

CACTVS 3.341COc1ccc(cc1OC2CCCC2)C(/C)=N/OC(N)=O
OpenEye OEToolkits 1.5.0C/C(=N\OC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC

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InChI

InChI 1.03InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+

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InChIKey

InChI 1.03STTRYQAGHGJXJJ-LICLKQGHSA-N

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PDB entries

Showing all 1 items

PDB-1xlz:
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Filaminast

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