General Information of the Compound
| Compound ID |
CP0408588
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| Compound Name |
4-bromo-5-ethyl-1-phenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C21H19BrF3N3O2
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| Molecular Weight |
482.3
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| Canonical SMILES |
CCc1c(Br)c(nn1-c1ccccc1)C(=O)NCc1ccccc1OCC(F)(F)F
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| InChI |
InChI=1S/C21H19BrF3N3O2/c1-2-16-18(22)19(27-28(16)15-9-4-3-5-10-15)20(29)26-12-14-8-6-7-11-17(14)30-13-21(23,24)25/h3-11H,2,12-13H2,1H3,(H,26,29)
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| InChIKey |
UZGGBAAMXIVZRZ-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