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- ChemComp-GOH: 5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-t... -

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Basic information

EntryDatabase: PDB chemical components / ID: GOH
NameName: 5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole

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Chemical information

Composition
Formula: C11H10N6O / Number of atoms: 28 / Formula weight: 242.237 / Formal charge: 0
Others

5aok

Type: non-polymer / Three letter code: GOH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AOK
History
Create componentSep 10, 2015
Initial releaseDec 16, 2015
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

CACTVS 3.385C1CC1c2oc(n3cccc3)c(n2)c4[nH]nnn4
OpenEye OEToolkits 1.7.6c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4

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SMILES CANONICAL

CACTVS 3.385C1CC1c2oc(n3cccc3)c(n2)c4[nH]nnn4
OpenEye OEToolkits 1.7.6c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4

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InChI

InChI 1.03InChI=1S/C11H10N6O/c1-2-6-17(5-1)11-8(9-13-15-16-14-9)12-10(18-11)7-3-4-7/h1-2,5-7H,3-4H2,(H,13,14,15,16)

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InChIKey

InChI 1.03WNHQAZRUEGMEKF-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.62-cyclopropyl-5-pyrrol-1-yl-4-(1H-1,2,3,4-tetrazol-5-yl)-1,3-oxazole

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PDB entries

Showing all 1 items

PDB-5aok:
Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan7099

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