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- ChemComp-NUJ: trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: NUJ
NameName: trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol

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Chemical information

Composition
Formula: C11H17N3O / Number of atoms: 32 / Formula weight: 207.272 / Formal charge: 0
Others

5qqz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NUJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QQZ
History
Create componentMay 28, 2019
Initial releaseAug 7, 2019
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 12.01N(c1nc(C)nc(c1)C)(C)C2CC(C2)O
CACTVS 3.385CN([CH]1C[CH](O)C1)c2cc(C)nc(C)n2
OpenEye OEToolkits 2.0.6Cc1cc(nc(n1)C)N(C)C2CC(C2)O

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SMILES CANONICAL

CACTVS 3.385CN([C@@H]1C[C@@H](O)C1)c2cc(C)nc(C)n2
OpenEye OEToolkits 2.0.6Cc1cc(nc(n1)C)N(C)C2CC(C2)O

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InChI

InChI 1.03InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10-

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InChIKey

InChI 1.03SEZOHQAJJCEOMQ-MGCOHNPYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
OpenEye OEToolkits 2.0.63-[(2,6-dimethylpyrimidin-4-yl)-methyl-amino]cyclobutan-1-ol

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PDB entries

Showing all 3 items

PDB-5qqz:
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1675346324

PDB-5rwd:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1675346324

PDB-7b6g:
Crystal structure of MurE from E.coli in complex with Z1675346324

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