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- ChemComp-VFP: 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylp... -

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Basic information

EntryDatabase: PDB chemical components / ID: VFP
NameName: 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione

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Chemical information

Composition
Formula: C20H17N3O4 / Number of atoms: 44 / Formula weight: 363.367 / Formal charge: 0
Others

7joz

Type: non-polymer / PDB classification: HETAIN / Three letter code: VFP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7JOZ
History
Create componentAug 10, 2020
Initial releaseApr 14, 2021
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 12.01c21occc1c(ncc2)Oc3ccc(c(c3)C)C4=C(C(NC(N4C)=O)=O)C
CACTVS 3.385CN1C(=O)NC(=O)C(=C1c2ccc(Oc3nccc4occc34)cc2C)C
OpenEye OEToolkits 2.0.7Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3

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SMILES CANONICAL

CACTVS 3.385CN1C(=O)NC(=O)C(=C1c2ccc(Oc3nccc4occc34)cc2C)C
OpenEye OEToolkits 2.0.7Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3

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InChI

InChI 1.03InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)

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InChIKey

InChI 1.03CKMFOKUQUOYIOR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 2.0.76-(4-furo[3,2-c]pyridin-4-yloxy-2-methyl-phenyl)-1,5-dimethyl-pyrimidine-2,4-dione

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PDB entries

Showing all 1 items

PDB-7joz:
Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist

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