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- ChemComp-GK5: N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-... -

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Basic information

EntryDatabase: PDB chemical components / ID: GK5
NameName: N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
Synonyms: N3-cyclopropyl-N4'-(cyclopropylmethyl)-6-methyl-3,4'-biphenyldicarboxamide

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Chemical information

Composition
Formula: C22H24N2O2 / Number of atoms: 50 / Formula weight: 348.438 / Formal charge: 0
Others

3d7z

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GK5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3D7Z
History
Create componentMay 27, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 10.04O=C(c3cc(c2ccc(C(=O)NCC1CC1)cc2)c(cc3)C)NC4CC4
CACTVS 3.341Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4
OpenEye OEToolkits 1.5.0Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4

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SMILES CANONICAL

CACTVS 3.341Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4
OpenEye OEToolkits 1.5.0Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4

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InChI

InChI 1.03InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)

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InChIKey

InChI 1.03BOPSUAHGQHFKGG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
OpenEye OEToolkits 1.5.0N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-benzamide

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PDB entries

Showing all 1 items

PDB-3d7z:
Crystal Structure of P38 Kinase in Complex with a biphenyl amide inhibitor

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