General Information of the Compound
| Compound ID |
CP0442597
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| Compound Name |
3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-(hydroxymethyl)-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C20H24F4N4O4
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| Molecular Weight |
460.428
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| Canonical SMILES |
OCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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| InChI |
InChI=1S/C20H24F4N4O4/c21-15-2-3-16(17(10-15)32-13-20(22,23)24)27-8-6-26(7-9-27)4-1-5-28-18(30)14(12-29)11-25-19(28)31/h2-3,10-11,29H,1,4-9,12-13H2,(H,25,31)
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| InChIKey |
SDHKUGRGWQZRIK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor