General Information of the Compound
| Compound ID |
CP0450864
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| Compound Name |
4-bromo-5-phenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C21H16BrF6N3O2
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| Molecular Weight |
536.27
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| Canonical SMILES |
FC(F)(F)COc1ccccc1CNC(=O)c1nn(CC(F)(F)F)c(c1Br)-c1ccccc1
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| InChI |
InChI=1S/C21H16BrF6N3O2/c22-16-17(30-31(11-20(23,24)25)18(16)13-6-2-1-3-7-13)19(32)29-10-14-8-4-5-9-15(14)33-12-21(26,27)28/h1-9H,10-12H2,(H,29,32)
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| InChIKey |
UEMOLKFKCPDIDO-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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I