General Information of the Compound
| Compound ID |
CP0494754
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| Compound Name |
6-methyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-2H-1,2,4-triazine-3,5-dione
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| Structure |
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| Formula |
C19H24F3N5O3
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| Molecular Weight |
427.427
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| Canonical SMILES |
Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
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| InChI |
InChI=1S/C19H24F3N5O3/c1-14-17(28)27(18(29)24-23-14)8-4-7-25-9-11-26(12-10-25)15-5-2-3-6-16(15)30-13-19(20,21)22/h2-3,5-6H,4,7-13H2,1H3,(H,24,29)
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| InChIKey |
IGRIBIYYAXAWCQ-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