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- ChemComp-VOC: 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazo... -

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Basic information

EntryDatabase: PDB chemical components / ID: VOC
NameName: 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone

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Chemical information

Composition
Formula: C16H16N4O2 / Number of atoms: 38 / Formula weight: 296.324 / Formal charge: 0
Others

8k5v

Type: non-polymer / PDB classification: HETAIN / Three letter code: VOC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8K5V
History
Create componentAug 2, 2023
Initial releaseDec 6, 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 3.385CCc1cccc2c([nH]nc12)C(=O)N3CCc4ocnc4C3
OpenEye OEToolkits 2.0.7CCc1cccc2c1n[nH]c2C(=O)N3CCc4c(nco4)C3

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SMILES CANONICAL

CACTVS 3.385CCc1cccc2c([nH]nc12)C(=O)N3CCc4ocnc4C3
OpenEye OEToolkits 2.0.7CCc1cccc2c1n[nH]c2C(=O)N3CCc4c(nco4)C3

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InChI

InChI 1.06InChI=1S/C16H16N4O2/c1-2-10-4-3-5-11-14(10)18-19-15(11)16(21)20-7-6-13-12(8-20)17-9-22-13/h3-5,9H,2,6-8H2,1H3,(H,18,19)

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InChIKey

InChI 1.06JCOAMLYFOYJAMQ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8k5v:
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor

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