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- ChemComp-N3O: ~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: N3O
NameName: ~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide

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Chemical information

Composition
Formula: C10H11N3O2 / Number of atoms: 26 / Formula weight: 205.213 / Formal charge: 0
Others

8aoc

Type: non-polymer / PDB classification: HETAIN / Three letter code: N3O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AOC
History
Create componentAug 11, 2022
Initial releaseSep 28, 2022
Modify descriptorSep 23, 2023
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 3.385CCC(=O)Nc1cnc2onc(C)c2c1
OpenEye OEToolkits 2.0.7CCC(=O)Nc1cc2c(noc2nc1)C

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SMILES CANONICAL

CACTVS 3.385CCC(=O)Nc1cnc2onc(C)c2c1
OpenEye OEToolkits 2.0.7CCC(=O)Nc1cc2c(noc2nc1)C

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InChI

InChI 1.06InChI=1S/C10H11N3O2/c1-3-9(14)12-7-4-8-6(2)13-15-10(8)11-5-7/h4-5H,3H2,1-2H3,(H,12,14)

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InChIKey

InChI 1.06LSSGMABBUKKUJR-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8aoc:
Specific covalent inhibitor of ERK2

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