General Information of the Compound
| Compound ID |
CP0463423
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| Compound Name |
4-ethenyl-1,5-diphenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H22F3N3O2
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| Molecular Weight |
477.486
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| Canonical SMILES |
FC(F)(F)COc1ccccc1CNC(=O)c1nn(c(c1C=C)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C27H22F3N3O2/c1-2-22-24(26(34)31-17-20-13-9-10-16-23(20)35-18-27(28,29)30)32-33(21-14-7-4-8-15-21)25(22)19-11-5-3-6-12-19/h2-16H,1,17-18H2,(H,31,34)
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| InChIKey |
SJYPETBHKFXKTJ-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