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- ChemComp-5SZ: 6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]tri... -

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Basic information

EntryDatabase: PDB chemical components / ID: 5SZ
NameName: 6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one

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Chemical information

Composition
Formula: C20H15FN6O2 / Number of atoms: 44 / Formula weight: 390.371 / Formal charge: 0
Others

5eyc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5SZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EYC
History
Create componentNov 25, 2015
Initial releaseFeb 10, 2016
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / 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 3.385C[CH](N1C=Cc2ncccc2C1=O)c3nnc4n3cc(cc4F)c5onc(C)c5
OpenEye OEToolkits 2.0.4Cc1cc(on1)c2cc(c3nnc(n3c2)C(C)N4C=Cc5c(cccn5)C4=O)F

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SMILES CANONICAL

CACTVS 3.385C[C@@H](N1C=Cc2ncccc2C1=O)c3nnc4n3cc(cc4F)c5onc(C)c5
OpenEye OEToolkits 2.0.4Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)N4C=Cc5c(cccn5)C4=O)F

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InChI

InChI 1.03InChI=1S/C20H15FN6O2/c1-11-8-17(29-25-11)13-9-15(21)19-24-23-18(27(19)10-13)12(2)26-7-5-16-14(20(26)28)4-3-6-22-16/h3-10,12H,1-2H3/t12-/m1/s1

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InChIKey

InChI 1.03MUXVJMKIENAXGE-GFCCVEGCSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.46-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one

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PDB entries

Showing all 1 items

PDB-5eyc:
Crystal structure of c-Met in complex with naphthyridinone inhibitor 5

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