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- ChemComp-G3U: 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-... -

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Basic information

EntryDatabase: PDB chemical components / ID: G3U
NameName: 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione

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Chemical information

Composition
Formula: C19H17F2N3O4 / Number of atoms: 45 / Formula weight: 389.353 / Formal charge: 0
Others

7cky

Type: non-polymer / PDB classification: HETAIN / Three letter code: G3U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7CKY
History
Create componentJul 21, 2020
Initial releaseMar 3, 2021
External linksUniChem / ChemSpider / BindingDB / 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

CACTVS 3.385CN1C(=O)NC(=O)C(=C1c2ccc(Oc3ncccc3OC(F)F)cc2C)C
OpenEye OEToolkits 2.0.7Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)OC(F)F

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SMILES CANONICAL

CACTVS 3.385CN1C(=O)NC(=O)C(=C1c2ccc(Oc3ncccc3OC(F)F)cc2C)C
OpenEye OEToolkits 2.0.7Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)OC(F)F

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InChI

InChI 1.03InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)

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InChIKey

InChI 1.03ZXIPVZWZRQCIRW-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7cky:
Cryo-EM structure of PW0464 bound dopamine receptor DRD1-Gs signaling complex

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