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- ChemComp-EYB: [9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium -

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Basic information

EntryDatabase: PDB chemical components / ID: EYB
NameName: [9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium

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Chemical information

Composition
Formula: C19H20N3O / Number of atoms: 43 / Formula weight: 306.382 / Formal charge: 1
Others

6ggd

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EYB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6GGD
History
Create componentMay 4, 2018
Initial releaseMay 22, 2019
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

CACTVS 3.385CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4conc4
OpenEye OEToolkits 2.0.6CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C

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SMILES CANONICAL

CACTVS 3.385CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4conc4
OpenEye OEToolkits 2.0.6CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C

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InChI

InChI 1.03InChI=1S/C19H19N3O/c1-3-22-18-7-4-13(10-20-2)8-17(18)16-6-5-14(9-19(16)22)15-11-21-23-12-15/h4-9,11-12,20H,3,10H2,1-2H3/p+1

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InChIKey

InChI 1.03VHUKHTBOFRYGOK-UHFFFAOYSA-O

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PDB entries

Showing all 1 items

PDB-6ggd:
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9324

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