General Information of the Compound
| Compound ID |
CP0450861
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| Compound Name |
4-bromo-1-(3-fluorophenyl)-5-phenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H18BrF4N3O2
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| Molecular Weight |
548.334
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| Canonical SMILES |
Fc1cccc(c1)-n1nc(C(=O)NCc2ccccc2OCC(F)(F)F)c(Br)c1-c1ccccc1
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| InChI |
InChI=1S/C25H18BrF4N3O2/c26-21-22(24(34)31-14-17-9-4-5-12-20(17)35-15-25(28,29)30)32-33(19-11-6-10-18(27)13-19)23(21)16-7-2-1-3-8-16/h1-13H,14-15H2,(H,31,34)
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| InChIKey |
DTSACWGHSIJGNU-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