General Information of the Compound
| Compound ID |
CP0486214
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| Compound Name |
(2R,4S)-N-[(2-chlorophenyl)methyl]-3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-diene-7-carboxamide
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| Structure |
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| Formula |
C19H20ClNOS
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| Molecular Weight |
345.895
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| Canonical SMILES |
Cc1sc(C(=O)NCc2ccccc2Cl)c2C[C@H]3[C@@H](c12)C3(C)C
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| InChI |
InChI=1S/C19H20ClNOS/c1-10-15-12(8-13-16(15)19(13,2)3)17(23-10)18(22)21-9-11-6-4-5-7-14(11)20/h4-7,13,16H,8-9H2,1-3H3,(H,21,22)/t13-,16-/m0/s1
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| InChIKey |
MULAMVHSOJFSOK-BBRMVZONSA-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