General Information of the Compound
| Compound ID |
CP0429392
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| Compound Name |
4-(difluoromethyl)-1-methyl-5-phenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C21H18F5N3O2
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| Molecular Weight |
439.384
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| Canonical SMILES |
Cn1nc(C(=O)NCc2ccccc2OCC(F)(F)F)c(C(F)F)c1-c1ccccc1
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| InChI |
InChI=1S/C21H18F5N3O2/c1-29-18(13-7-3-2-4-8-13)16(19(22)23)17(28-29)20(30)27-11-14-9-5-6-10-15(14)31-12-21(24,25)26/h2-10,19H,11-12H2,1H3,(H,27,30)
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| InChIKey |
LMXBXUWYKUDWME-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