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- ChemComp-C2J: N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: C2J
NameName: N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide

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Chemical information

Composition
Formula: C17H15N3O2 / Number of atoms: 37 / Formula weight: 293.32 / Formal charge: 0
Others

6ayd

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C2J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6AYD
History
Create componentSep 11, 2017
Initial releaseDec 27, 2017
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / 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

ACDLabs 12.01c1(ccc(cc1)c4ccc3c(NC(C2CC2)=O)nnc3c4)O
CACTVS 3.385Oc1ccc(cc1)c2ccc3c([nH]nc3c2)NC(=O)C4CC4
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccc3c(c2)n[nH]c3NC(=O)C4CC4)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(cc1)c2ccc3c([nH]nc3c2)NC(=O)C4CC4
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccc3c(c2)n[nH]c3NC(=O)C4CC4)O

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InChI

InChI 1.03InChI=1S/C17H15N3O2/c21-13-6-3-10(4-7-13)12-5-8-14-15(9-12)19-20-16(14)18-17(22)11-1-2-11/h3-9,11,21H,1-2H2,(H2,18,19,20,22)

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InChIKey

InChI 1.03RXQXACYMRVINQU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide
OpenEye OEToolkits 2.0.6~{N}-[6-(4-hydroxyphenyl)-2~{H}-indazol-3-yl]cyclopropanecarboxamide

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PDB entries

Showing all 1 items

PDB-6ayd:
Pim1 complexed with N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide

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