General Information of the Compound
| Compound ID |
CP0450851
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| Compound Name |
3-bromo-5,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-2-benzothiophene-1-carboxamide
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| Structure |
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| Formula |
C21H26BrNO2S
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| Molecular Weight |
436.415
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| Canonical SMILES |
CC(C)Oc1ccccc1CNC(=O)c1sc(Br)c2CC(C)(C)CCc12
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| InChI |
InChI=1S/C21H26BrNO2S/c1-13(2)25-17-8-6-5-7-14(17)12-23-20(24)18-15-9-10-21(3,4)11-16(15)19(22)26-18/h5-8,13H,9-12H2,1-4H3,(H,23,24)
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| InChIKey |
JIMHZFYOORSBOB-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