General Information of the Compound
| Compound ID |
CP0463422
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| Compound Name |
4-[2-(cyclopropylamino)ethyl]-1,5-diphenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H29F3N4O2
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| Molecular Weight |
534.582
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| Canonical SMILES |
FC(F)(F)COc1ccccc1CNC(=O)c1nn(c(c1CCNC1CC1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C30H29F3N4O2/c31-30(32,33)20-39-26-14-8-7-11-22(26)19-35-29(38)27-25(17-18-34-23-15-16-23)28(21-9-3-1-4-10-21)37(36-27)24-12-5-2-6-13-24/h1-14,23,34H,15-20H2,(H,35,38)
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| InChIKey |
CTEQMWSOXVPUFG-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