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- ChemComp-OD6: 4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: OD6
NameName: 4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine / Synonyms: 4-(4-Benzylphenyl)-selenazol-2-amine

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Chemical information

Composition
Formula: C16H14N2Se / Number of atoms: 33 / Formula weight: 313.256 / Formal charge: 0
Others

8awh

Type: non-polymer / PDB classification: HETAIN / Three letter code: OD6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AWH
History
Create componentSep 5, 2022
Initial releaseMay 3, 2023
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

CACTVS 3.385Nc1[se]cc(n1)c2ccc(Cc3ccccc3)cc2
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)Cc2ccc(cc2)c3c[se]c(n3)N

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SMILES CANONICAL

CACTVS 3.385Nc1[se]cc(n1)c2ccc(Cc3ccccc3)cc2
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)Cc2ccc(cc2)c3c[se]c(n3)N

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InChI

InChI 1.06InChI=1S/C16H14N2Se/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)

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InChIKey

InChI 1.06TVNNGQGXOFXDAF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8awh:
Leukotriene A4 hydrolase in complex with 4-(4-Benzylphenyl)-selenazol-2-amine

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