General Information of the Compound
| Compound ID |
CP0429371
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| Compound Name |
3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-5,5-dimethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide
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| Structure |
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| Formula |
C20H24BrNO2S
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| Molecular Weight |
422.388
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| Canonical SMILES |
COCc1ccc(CNC(=O)c2sc(Br)c3CC(C)(C)CCc23)cc1
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| InChI |
InChI=1S/C20H24BrNO2S/c1-20(2)9-8-15-16(10-20)18(21)25-17(15)19(23)22-11-13-4-6-14(7-5-13)12-24-3/h4-7H,8-12H2,1-3H3,(H,22,23)
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| InChIKey |
LAYLVIDKHAQDFA-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