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- ChemComp-F1Y: N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: F1Y
NameName: N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide

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Chemical information

Composition
Formula: C17H18N4O2 / Number of atoms: 41 / Formula weight: 310.35 / Formal charge: 0
Others

6cgp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: F1Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6CGP
History
Create componentFeb 23, 2018
Initial releaseJun 13, 2018
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

ACDLabs 12.01c3(ccc(Nc2c(CCC)nc1ccccn12)cc3)C(=O)NO
CACTVS 3.385CCCc1nc2ccccn2c1Nc3ccc(cc3)C(=O)NO
OpenEye OEToolkits 2.0.6CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO

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SMILES CANONICAL

CACTVS 3.385CCCc1nc2ccccn2c1Nc3ccc(cc3)C(=O)NO
OpenEye OEToolkits 2.0.6CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO

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InChI

InChI 1.03InChI=1S/C17H18N4O2/c1-2-5-14-16(21-11-4-3-6-15(21)19-14)18-13-9-7-12(8-10-13)17(22)20-23/h3-4,6-11,18,23H,2,5H2,1H3,(H,20,22)

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InChIKey

InChI 1.03RDGVRQVQYOOAEK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide
OpenEye OEToolkits 2.0.6~{N}-oxidanyl-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide

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PDB entries

Showing all 1 items

PDB-6cgp:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032

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