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- ChemComp-PJ0: 3-methyl-1,5-naphthyridin-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: PJ0
NameName: 3-methyl-1,5-naphthyridin-2-amine

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Chemical information

Composition
Formula: C9H9N3 / Number of atoms: 21 / Formula weight: 159.188 / Formal charge: 0
Others

7uy1

Type: non-polymer / PDB classification: HETAIN / Three letter code: PJ0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7UY1
History
Create componentMay 26, 2022
Initial releaseOct 5, 2022
External linksUniChem / ChemSpider / ChEMBL / PubChem / SureChEMBL / 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 12.01Cc1cc2ncccc2nc1N
CACTVS 3.385Cc1cc2ncccc2nc1N
OpenEye OEToolkits 2.0.7Cc1cc2c(cccn2)nc1N

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SMILES CANONICAL

CACTVS 3.385Cc1cc2ncccc2nc1N
OpenEye OEToolkits 2.0.7Cc1cc2c(cccn2)nc1N

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InChI

InChI 1.03InChI=1S/C9H9N3/c1-6-5-8-7(12-9(6)10)3-2-4-11-8/h2-5H,1H3,(H2,10,12)

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InChIKey

InChI 1.03QRLYUZQZBLJANT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-methyl-1,5-naphthyridin-2-amine
OpenEye OEToolkits 2.0.73-methyl-1,5-naphthyridin-2-amine

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PDB entries

Showing all 1 items

PDB-7uy1:
HUMAN PRMT5:MEP50 COMPLEX WITH MTA and Fragment 5 Bound

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