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- ChemComp-ENK: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: ENK
NameName: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine

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Chemical information

Composition
Formula: C9H9N3O / Number of atoms: 22 / Formula weight: 175.187 / Formal charge: 0
Others

6g5n

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ENK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6G5N
History
Create componentApr 2, 2018
Initial releaseApr 11, 2018
External linksUniChem / ChemSpider / PubChem / 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 3.385NCc1onc(n1)c2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2nc(on2)CN

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SMILES CANONICAL

CACTVS 3.385NCc1onc(n1)c2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2nc(on2)CN

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InChI

InChI 1.03InChI=1S/C9H9N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H2

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InChIKey

InChI 1.03QFBMJBDECSEYCZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine

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PDB entries

Showing all 2 items

PDB-6g5n:
Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine

PDB-8a9p:
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment

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