General Information of the Compound
| Compound ID |
CP0497518
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| Compound Name |
3-[2-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]ethyl]-5-methyl-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 |
Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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| InChI |
InChI=1S/C19H22F4N4O3/c1-13-11-24-18(29)27(17(13)28)9-6-25-4-7-26(8-5-25)15-3-2-14(20)10-16(15)30-12-19(21,22)23/h2-3,10-11H,4-9,12H2,1H3,(H,24,29)
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| InChIKey |
JSPZPGCXQNWQIL-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