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- ChemComp-8S7: N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 8S7
NameName: N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide

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Chemical information

Composition
Formula: C8H10N2O2 / Number of atoms: 22 / Formula weight: 166.177 / Formal charge: 0
Others

5po0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8S7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5PO0
History
Create componentMar 3, 2017
Initial releaseMar 15, 2017
External linksUniChem / ChemSpider / PubChem / 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 12.01N(c1cc(C)no1)C(C2CC2)=O
CACTVS 3.385Cc1cc(NC(=O)C2CC2)on1
OpenEye OEToolkits 2.0.6Cc1cc(on1)NC(=O)C2CC2

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SMILES CANONICAL

CACTVS 3.385Cc1cc(NC(=O)C2CC2)on1
OpenEye OEToolkits 2.0.6Cc1cc(on1)NC(=O)C2CC2

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InChI

InChI 1.03InChI=1S/C8H10N2O2/c1-5-4-7(12-10-5)9-8(11)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,11)

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InChIKey

InChI 1.03ICIVRYAXFYPMRV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide
OpenEye OEToolkits 2.0.6~{N}-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide

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PDB entries

Showing all 1 items

PDB-5po0:
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10146a

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