General Information of the Compound
| Compound ID |
CP0429388
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| Compound Name |
4-bromo-5-cyclopropyl-1-(2-fluorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H18BrF4N3O2
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| Molecular Weight |
512.301
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| Canonical SMILES |
Fc1ccccc1-n1nc(C(=O)NCc2ccccc2OCC(F)(F)F)c(Br)c1C1CC1
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| InChI |
InChI=1S/C22H18BrF4N3O2/c23-18-19(29-30(20(18)13-9-10-13)16-7-3-2-6-15(16)24)21(31)28-11-14-5-1-4-8-17(14)32-12-22(25,26)27/h1-8,13H,9-12H2,(H,28,31)
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| InChIKey |
SQUNSKHKMIEJHJ-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