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- ChemComp-DPK: DEPRENYL -

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Basic information

EntryDatabase: PDB chemical components / ID: DPK
NameName: deprenyl
Synonyms: N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE
Commentmedication*YM

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Chemical information

Composition
Formula: C13H19N / Number of atoms: 33 / Formula weight: 189.297 / Formal charge: 0
Others

2byb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DPK / Model coordinates PDB-ID: 2BYB
History
Create componentJul 29, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / DrugBank / Nikkaji / PubChem / SureChEMBL / 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 10.04N(C(Cc1ccccc1)C)(C\C=C)C
CACTVS 3.341C[CH](Cc1ccccc1)N(C)CC=C
OpenEye OEToolkits 1.5.0CC(Cc1ccccc1)N(C)CC=C

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SMILES CANONICAL

CACTVS 3.341C[C@H](Cc1ccccc1)N(C)CC=C
OpenEye OEToolkits 1.5.0C[C@H](Cc1ccccc1)N(C)CC=C

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InChI

InChI 1.03InChI=1S/C13H19N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3/t12-/m1/s1

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InChIKey

InChI 1.03BVYBGDRWIWQPOV-GFCCVEGCSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-methyl-N-[(1R)-1-methyl-2-phenylethyl]prop-2-en-1-amine
OpenEye OEToolkits 1.5.0(2R)-N-methyl-1-phenyl-N-prop-2-enyl-propan-2-amine

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PDB entries

Showing all 1 items

PDB-2byb:
Human Monoamine Oxidase B in complex with Deprenyl

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