General Information of the Compound
| Compound ID |
CP0449087
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| Compound Name |
3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C19H22F4N4O3
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| Molecular Weight |
430.402
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| Canonical SMILES |
Fc1ccc(N2CCN(CCCn3c(=O)cc[nH]c3=O)CC2)c(OCC(F)(F)F)c1
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| InChI |
InChI=1S/C19H22F4N4O3/c20-14-2-3-15(16(12-14)30-13-19(21,22)23)26-10-8-25(9-11-26)6-1-7-27-17(28)4-5-24-18(27)29/h2-5,12H,1,6-11,13H2,(H,24,29)
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| InChIKey |
UZNAGRGAFAEPBA-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