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- ChemComp-42I: N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 42I
NameName: N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide

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Chemical information

Composition
Formula: C20H15N3O2 / Number of atoms: 40 / Formula weight: 329.352 / Formal charge: 0
Others

7ozd

Type: non-polymer / PDB classification: HETAIN / Three letter code: 42I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OZD
History
Create componentJun 28, 2021
Other modificationNov 25, 2021
Initial releaseDec 1, 2021
Modify descriptorAug 22, 2022
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 3.385Oc1ccc(cc1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(cc1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O

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InChI

InChI 1.06InChI=1S/C20H15N3O2/c24-16-9-6-13(7-10-16)15-8-11-17-18(12-15)22-23-19(17)21-20(25)14-4-2-1-3-5-14/h1-12,24H,(H2,21,22,23,25)

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InChIKey

InChI 1.06AZRYWRIZWVORFG-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7ozd:
FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 34.

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