General Information of the Compound
| Compound ID |
CP0475586
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| Compound Name |
(5S,6S)-3-chloro-2,5,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-4,5,6,7-tetrahydroisoindole-1-carboxamide
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| Structure |
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| Formula |
C23H31ClN2O2
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| Molecular Weight |
402.966
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| Canonical SMILES |
CC(C)COc1ccccc1CNC(=O)c1c2C[C@H](C)[C@@H](C)Cc2c(Cl)n1C
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| InChI |
InChI=1S/C23H31ClN2O2/c1-14(2)13-28-20-9-7-6-8-17(20)12-25-23(27)21-18-10-15(3)16(4)11-19(18)22(24)26(21)5/h6-9,14-16H,10-13H2,1-5H3,(H,25,27)/t15-,16-/m0/s1
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| InChIKey |
FGJCFKJUONTFRL-HOTGVXAUSA-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