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- ChemComp-F0F: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carbo... -

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Basic information

EntryDatabase: PDB chemical components / ID: F0F
NameName: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide

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Chemical information

Composition
Formula: C15H22N2O / Number of atoms: 40 / Formula weight: 246.348 / Formal charge: 0
Others

6m3z

Type: non-polymer / PDB classification: HETAIN / Three letter code: F0F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6M3Z
History
Create componentMar 5, 2020
Initial releaseFeb 17, 2021
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 3.385CCN(CC)C(=O)[C]1(C[CH]1CN)c2ccccc2
OpenEye OEToolkits 2.0.7CCN(CC)C(=O)C1(CC1CN)c2ccccc2

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SMILES CANONICAL

CACTVS 3.385CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2
OpenEye OEToolkits 2.0.7CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2

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InChI

InChI 1.03InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1

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InChIKey

InChI 1.03GJJFMKBJSRMPLA-HIFRSBDPSA-N

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PDB entries

Showing all 2 items

PDB-6m3z:
X-ray structure of a Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in milnacipran bound form

PDB-9kdm:
Cryo-EM structure of LIPID-mediated human norepinephrine transporter NET in the presence of Levomilnacipran in an inward-open state at resolution of 2.46 angstrom.

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