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- ChemComp-M8N: ~{N}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine -

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Basic information

EntryDatabase: PDB chemical components / ID: M8N
NameName: ~{N}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine

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Chemical information

Composition
Formula: C13H22N2O / Number of atoms: 38 / Formula weight: 222.327 / Formal charge: 0
Others

6t0l

Type: non-polymer / PDB classification: HETAIN / Three letter code: M8N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6T0L
History
Create componentOct 4, 2019
Initial releaseOct 14, 2020
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 3.385CC(C)CCc1ccc(NCNO)c(C)c1
OpenEye OEToolkits 2.0.7Cc1cc(ccc1NCNO)CCC(C)C

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SMILES CANONICAL

CACTVS 3.385CC(C)CCc1ccc(NCNO)c(C)c1
OpenEye OEToolkits 2.0.7Cc1cc(ccc1NCNO)CCC(C)C

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InChI

InChI 1.03InChI=1S/C13H22N2O/c1-10(2)4-5-12-6-7-13(11(3)8-12)14-9-15-16/h6-8,10,14-16H,4-5,9H2,1-3H3

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InChIKey

InChI 1.03BNHIDDHQCYEQMT-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6t0l:
Crystal structure of CYP124 in complex with inhibitor compound 5'

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