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- ChemComp-466: N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 466
NameName: N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide

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Chemical information

Composition
Formula: C22H19N3O2 / Number of atoms: 46 / Formula weight: 357.405 / Formal charge: 0
Others

7ozf

Type: non-polymer / PDB classification: HETAIN / Three letter code: 466 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OZF
History
Create componentJun 28, 2021
Initial releaseDec 1, 2021
External linksUniChem / ChemSpider / ChEMBL / 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 3.385CCOc1cccc(c1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2
OpenEye OEToolkits 2.0.7CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4

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SMILES CANONICAL

CACTVS 3.385CCOc1cccc(c1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2
OpenEye OEToolkits 2.0.7CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4

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InChI

InChI 1.03InChI=1S/C22H19N3O2/c1-2-27-18-10-6-9-16(13-18)17-11-12-19-20(14-17)24-25-21(19)23-22(26)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H2,23,24,25,26)

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InChIKey

InChI 1.03QKJLYUUEYRTLCL-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7ozf:
FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 19.

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