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- ChemComp-SJ6: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carb... -

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Basic information

EntryDatabase: PDB chemical components / ID: SJ6
NameName: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide

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Chemical information

Composition
Formula: C21H17N3O2 / Number of atoms: 43 / Formula weight: 343.379 / Formal charge: 0
Others

8ivu

Type: non-polymer / PDB classification: HETAIN / Three letter code: SJ6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8IVU
History
Create componentApr 12, 2023
Initial releaseOct 11, 2023
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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

CACTVS 3.385Cc1ccc2nc(oc2c1)c3ccc(CNC(=O)c4cccnc4)cc3
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)oc(n2)c3ccc(cc3)CNC(=O)c4cccnc4

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SMILES CANONICAL

CACTVS 3.385Cc1ccc2nc(oc2c1)c3ccc(CNC(=O)c4cccnc4)cc3
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)oc(n2)c3ccc(cc3)CNC(=O)c4cccnc4

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InChI

InChI 1.06InChI=1S/C21H17N3O2/c1-14-4-9-18-19(11-14)26-21(24-18)16-7-5-15(6-8-16)12-23-20(25)17-3-2-10-22-13-17/h2-11,13H,12H2,1H3,(H,23,25)

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InChIKey

InChI 1.06UNHAWZZVVULEHG-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8ivu:
Crystal Structure of Human NAMPT in complex with A4276

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