General Information of the Compound
| Compound ID |
CP0396361
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| Compound Name |
1-benzyl-4-(difluoromethyl)-5-phenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H22F5N3O2
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| Molecular Weight |
515.482
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| Canonical SMILES |
FC(F)c1c(nn(Cc2ccccc2)c1-c1ccccc1)C(=O)NCc1ccccc1OCC(F)(F)F
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| InChI |
InChI=1S/C27H22F5N3O2/c28-25(29)22-23(26(36)33-15-20-13-7-8-14-21(20)37-17-27(30,31)32)34-35(16-18-9-3-1-4-10-18)24(22)19-11-5-2-6-12-19/h1-14,25H,15-17H2,(H,33,36)
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| InChIKey |
QKTMLCGPKFUYDS-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