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- ChemComp-SVT: 5-methoxy-1~{H}-indazole -

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Basic information

EntryDatabase: PDB chemical components / ID: SVT
NameName: 5-methoxy-1~{H}-indazole

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Chemical information

Composition
Formula: C8H8N2O / Number of atoms: 19 / Formula weight: 148.162 / Formal charge: 0
Others

7b44

Type: non-polymer / PDB classification: HETAIN / Three letter code: SVT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7B44
History
Create componentDec 2, 2020
Initial releaseDec 9, 2020
External linksUniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / CompTox / Nikkaji / 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 3.385COc1ccc2[nH]ncc2c1
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)cn[nH]2

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SMILES CANONICAL

CACTVS 3.385COc1ccc2[nH]ncc2c1
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)cn[nH]2

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InChI

InChI 1.03InChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)

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InChIKey

InChI 1.03GZWWDKIVVTXLFL-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7b44:
Crystal structure of c-MET bound by compound S1

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