General Information of the Compound
| Compound ID |
CP0471736
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| Compound Name |
3-chloro-N-[(2-ethoxyphenyl)methyl]-2,5,5-trimethyl-6,7-dihydro-4H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C21H27ClN2O2
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| Molecular Weight |
374.912
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| Canonical SMILES |
CCOc1ccccc1CNC(=O)c1c2CCC(C)(C)Cc2c(Cl)n1C
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| InChI |
InChI=1S/C21H27ClN2O2/c1-5-26-17-9-7-6-8-14(17)13-23-20(25)18-15-10-11-21(2,3)12-16(15)19(22)24(18)4/h6-9H,5,10-13H2,1-4H3,(H,23,25)
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| InChIKey |
MSZMVEAFXGQFLC-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