General Information of the Compound
| Compound ID |
CP0471731
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| Compound Name |
3-chloro-2,5,5-trimethyl-N-[[2-(3,3,3-trifluoropropoxy)phenyl]methyl]-6,7-dihydro-4H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C22H26ClF3N2O2
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| Molecular Weight |
442.909
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| Canonical SMILES |
Cn1c(Cl)c2CC(C)(C)CCc2c1C(=O)NCc1ccccc1OCCC(F)(F)F
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| InChI |
InChI=1S/C22H26ClF3N2O2/c1-21(2)9-8-15-16(12-21)19(23)28(3)18(15)20(29)27-13-14-6-4-5-7-17(14)30-11-10-22(24,25)26/h4-7H,8-13H2,1-3H3,(H,27,29)
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| InChIKey |
LVGXCEUSAHWSLB-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