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- ChemComp-JH6: N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: JH6
NameName: N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine

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Chemical information

Composition
Formula: C19H15N5 / Number of atoms: 39 / Formula weight: 313.356 / Formal charge: 0
Others

5shk

Type: non-polymer / PDB classification: HETAIN / Three letter code: JH6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SHK
History
Create componentFeb 1, 2022
Initial releaseOct 12, 2022
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 12.01Cc1cccc(n1)Nc1ncc(c2cccnc21)c1cccnc1
CACTVS 3.385Cc1cccc(Nc2ncc(c3cccnc3)c4cccnc24)n1
OpenEye OEToolkits 2.0.7Cc1cccc(n1)Nc2c3c(cccn3)c(cn2)c4cccnc4

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SMILES CANONICAL

CACTVS 3.385Cc1cccc(Nc2ncc(c3cccnc3)c4cccnc24)n1
OpenEye OEToolkits 2.0.7Cc1cccc(n1)Nc2c3c(cccn3)c(cn2)c4cccnc4

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InChI

InChI 1.03InChI=1S/C19H15N5/c1-13-5-2-8-17(23-13)24-19-18-15(7-4-10-21-18)16(12-22-19)14-6-3-9-20-11-14/h2-12H,1H3,(H,22,23,24)

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InChIKey

InChI 1.03PTTACYKBFLIGQP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine
OpenEye OEToolkits 2.0.7~{N}-(6-methylpyridin-2-yl)-5-pyridin-3-yl-1,7-naphthyridin-8-amine

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PDB entries

Showing all 1 items

PDB-5shk:
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ncc(c2cccnc12)c3cccnc3)Nc4cccc(n4)C, micromolar IC50=0.911105

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