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- ChemComp-5UW: ~{N}-(3,3-diphenylpropyl)piperidin-4-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: 5UW
NameName: ~{N}-(3,3-diphenylpropyl)piperidin-4-amine

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Chemical information

Composition
Formula: C20H26N2 / Number of atoms: 48 / Formula weight: 294.434 / Formal charge: 0
Others

5f40
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5UW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5F40
History
Create componentDec 3, 2015
Initial releaseMay 23, 2018
External linksUniChem / ChemSpider / ChEMBL / PubChem / 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 3.385C1CC(CCN1)NCCC(c2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.4c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3

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SMILES CANONICAL

CACTVS 3.385C1CC(CCN1)NCCC(c2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.4c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3

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InChI

InChI 1.03InChI=1S/C20H26N2/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19/h1-10,19-22H,11-16H2

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InChIKey

InChI 1.03XSQZAMQEHSISJA-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.4~{N}-(3,3-diphenylpropyl)piperidin-4-amine

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PDB entries

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PDB-5wfr:
Ligand-bound Ras:SOS:Ras complex

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