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- ChemComp-JTF: 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: JTF
NameName: 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one

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Chemical information

Composition
Formula: C14H19N3O / Number of atoms: 37 / Formula weight: 245.32 / Formal charge: 0
Others

5a5p

Type: non-polymer / PDB classification: HETAIN / Three letter code: JTF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5A5P
History
Create componentJun 20, 2015
Initial releaseJul 22, 2015
External linksUniChem / ChemSpider / Nikkaji / 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

CACTVS 3.385CN(C)CCNc1cccc2C=C(C)C(=O)Nc12
OpenEye OEToolkits 1.7.6CC1=Cc2cccc(c2NC1=O)NCCN(C)C

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SMILES CANONICAL

CACTVS 3.385CN(C)CCNc1cccc2C=C(C)C(=O)Nc12
OpenEye OEToolkits 1.7.6CC1=Cc2cccc(c2NC1=O)NCCN(C)C

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InChI

InChI 1.03InChI=1S/C14H19N3O/c1-10-9-11-5-4-6-12(13(11)16-14(10)18)15-7-8-17(2)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,18)

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InChIKey

InChI 1.03RIMSJTCQEYACPJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.68-[2-(dimethylamino)ethylamino]-3-methyl-1H-quinolin-2-one

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PDB entries

Showing all 1 items

PDB-5a5p:
Crystal structure of human ATAD2 bromodomain in complex with 8-2-(dimethylamino)ethylamino-3-methyl-1,2-dihydroquinolin-2-one

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