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- ChemComp-OJG: N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: OJG
NameName: N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide

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Chemical information

Composition
Formula: C16H21N3O2 / Number of atoms: 42 / Formula weight: 287.357 / Formal charge: 0
Others

6pgb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OJG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6PGB
History
Create componentJun 26, 2019
Initial releaseDec 11, 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

ACDLabs 12.01C(CNC(=O)Cc1ccccc1)CCc2ncc(CO)n2
CACTVS 3.385OCc1[nH]c(CCCCNC(=O)Cc2ccccc2)nc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO

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SMILES CANONICAL

CACTVS 3.385OCc1[nH]c(CCCCNC(=O)Cc2ccccc2)nc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO

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InChI

InChI 1.03InChI=1S/C16H21N3O2/c20-12-14-11-18-15(19-14)8-4-5-9-17-16(21)10-13-6-2-1-3-7-13/h1-3,6-7,11,20H,4-5,8-10,12H2,(H,17,21)(H,18,19)

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InChIKey

InChI 1.03NWJHGXOXPDGAJH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide
OpenEye OEToolkits 2.0.7~{N}-[4-[5-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]-2-phenyl-ethanamide

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PDB entries

Showing all 1 items

PDB-6pgb:
WDR5delta32 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)-2-phenylacetamide

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