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- ChemComp-SL7: 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]... -

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Basic information

EntryDatabase: PDB chemical components / ID: SL7
NameName: 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid

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Chemical information

Composition
Formula: C19H18N6O4 / Number of atoms: 47 / Formula weight: 394.384 / Formal charge: 0
Others

6w4c

Type: non-polymer / PDB classification: HETAIN / Three letter code: SL7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6W4C
History
Create componentMar 11, 2020
Initial releaseMay 12, 2021
External linksUniChem / ChemSpider / PubChem / 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 3.385CN(C)c1noc(n1)c2cccc(CNc3ccc4n[nH]c(C(O)=O)c4c3)c2O
OpenEye OEToolkits 2.0.7CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O

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SMILES CANONICAL

CACTVS 3.385CN(C)c1noc(n1)c2cccc(CNc3ccc4n[nH]c(C(O)=O)c4c3)c2O
OpenEye OEToolkits 2.0.7CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O

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InChI

InChI 1.03InChI=1S/C19H18N6O4/c1-25(2)19-21-17(29-24-19)12-5-3-4-10(16(12)26)9-20-11-6-7-14-13(8-11)15(18(27)28)23-22-14/h3-8,20,26H,9H2,1-2H3,(H,22,23)(H,27,28)

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InChIKey

InChI 1.03QZFNTDYKERMDQJ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6w4c:
Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5

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