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- ChemComp-2PZ: N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 2PZ
NameName: N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide

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Chemical information

Composition
Formula: C16H22N4O / Number of atoms: 43 / Formula weight: 286.372 / Formal charge: 0
Others

4nyj

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2PZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4NYJ
History
Create componentDec 25, 2013
Initial releaseMar 12, 2014
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 12.01O=C(NC3CCN(Cc1cnc2ccccc12)CC3)CN
CACTVS 3.385NCC(=O)NC1CCN(CC1)Cc2c[nH]c3ccccc23
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN

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SMILES CANONICAL

CACTVS 3.385NCC(=O)NC1CCN(CC1)Cc2c[nH]c3ccccc23
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN

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InChI

InChI 1.03InChI=1S/C16H22N4O/c17-9-16(21)19-13-5-7-20(8-6-13)11-12-10-18-15-4-2-1-3-14(12)15/h1-4,10,13,18H,5-9,11,17H2,(H,19,21)

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InChIKey

InChI 1.03CVIHXVZLCLPGPP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide
OpenEye OEToolkits 1.7.62-azanyl-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]ethanamide

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PDB entries

Showing all 1 items

PDB-4nyj:
Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange

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