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- ChemComp-OY2: methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate -

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Basic information

EntryDatabase: PDB chemical components / ID: OY2
NameName: methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate

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Chemical information

Composition
Formula: C15H20N2O3 / Number of atoms: 40 / Formula weight: 276.331 / Formal charge: 0
Others

6ylk

Type: non-polymer / PDB classification: HETAIN / Three letter code: OY2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YLK
History
Create componentApr 7, 2020
Initial releaseJul 22, 2020
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 3.385CCN1CCN(C(=O)CC)c2ccc(cc12)C(=O)OC
OpenEye OEToolkits 2.0.7CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC

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SMILES CANONICAL

CACTVS 3.385CCN1CCN(C(=O)CC)c2ccc(cc12)C(=O)OC
OpenEye OEToolkits 2.0.7CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC

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InChI

InChI 1.03InChI=1S/C15H20N2O3/c1-4-14(18)17-9-8-16(5-2)13-10-11(15(19)20-3)6-7-12(13)17/h6-7,10H,4-5,8-9H2,1-3H3

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InChIKey

InChI 1.03QDHABPUVVIONNJ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6ylk:
Cdk2(F80C) with Covalent Adduct TK22 at F80C

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