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- ChemComp-ENZ: (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one -

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Basic information

EntryDatabase: PDB chemical components / ID: ENZ
NameName: (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one

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Chemical information

Composition
Formula: C15H15N3O / Number of atoms: 34 / Formula weight: 253.299 / Formal charge: 0
Others

6g5w

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ENZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6G5W
History
Create componentApr 3, 2018
Initial releaseApr 10, 2019
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 3.385C[CH]1NN(C(=O)[CH]1c2ccccc2)c3ccccn3
OpenEye OEToolkits 2.0.6CC1C(C(=O)N(N1)c2ccccn2)c3ccccc3

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SMILES CANONICAL

CACTVS 3.385C[C@H]1NN(C(=O)[C@@H]1c2ccccc2)c3ccccn3
OpenEye OEToolkits 2.0.6CC1[C@H](C(=O)N(N1)c2ccccn2)c3ccccc3

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InChI

InChI 1.03InChI=1S/C15H15N3O/c1-11-14(12-7-3-2-4-8-12)15(19)18(17-11)13-9-5-6-10-16-13/h2-11,14,17H,1H3/t11-,14+/m1/s1

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InChIKey

InChI 1.03WTUXNFZMAWODGB-RISCZKNCSA-N

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PDB entries

Showing all 1 items

PDB-6g5w:
Crystal Structure of KDM4A with compound YP-03-038

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