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- ChemComp-N3F: {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone -

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Basic information

EntryDatabase: PDB chemical components / ID: N3F
NameName: {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone

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Chemical information

Composition
Formula: C19H16N2O / Number of atoms: 38 / Formula weight: 288.343 / Formal charge: 0
Others

3qud

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: N3F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QUD
History
Create componentMar 10, 2011
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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 12.01O=C(c1ccccc1)c2ccc(cc2)Nc3ccccc3N
CACTVS 3.370Nc1ccccc1Nc2ccc(cc2)C(=O)c3ccccc3
OpenEye OEToolkits 1.7.0c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N

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SMILES CANONICAL

CACTVS 3.370Nc1ccccc1Nc2ccc(cc2)C(=O)c3ccccc3
OpenEye OEToolkits 1.7.0c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N

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InChI

InChI 1.03InChI=1S/C19H16N2O/c20-17-8-4-5-9-18(17)21-16-12-10-15(11-13-16)19(22)14-6-2-1-3-7-14/h1-13,21H,20H2

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InChIKey

InChI 1.03RAWYMBACZSQNDD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01{4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
OpenEye OEToolkits 1.7.0[4-[(2-aminophenyl)amino]phenyl]-phenyl-methanone

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PDB entries

Showing all 1 items

PDB-3qud:
Human p38 MAP Kinase in Complex with 2-amino-phenylamino-benzophenone

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