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- ChemComp-UO1: N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: UO1
NameName: N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide

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Chemical information

Composition
Formula: C19H18N2O3 / Number of atoms: 42 / Formula weight: 322.358 / Formal charge: 0
Others

5e73

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: UO1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5E73
History
Create componentOct 12, 2015
Initial releaseOct 28, 2015
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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

ACDLabs 12.01CC(=O)n1c3c(c(c1)N(c2cc(ccc2C)O)C(C)=O)cccc3
CACTVS 3.385CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc13
OpenEye OEToolkits 1.9.2Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O

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SMILES CANONICAL

CACTVS 3.385CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc13
OpenEye OEToolkits 1.9.2Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O

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InChI

InChI 1.03InChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3

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InChIKey

InChI 1.03NXETYAFZIDRMKK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
OpenEye OEToolkits 1.9.2N-(1-ethanoylindol-3-yl)-N-(2-methyl-5-oxidanyl-phenyl)ethanamide

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PDB entries

Showing all 2 items

PDB-5e73:
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47

PDB-6fgl:
Crystal Structure of BAZ2A bromodomain in complex with acetylindole compound UZH47

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