General Information of the Compound
| Compound ID |
CP0536131
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| Compound Name |
(2R,4S)-3,3,9-trimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-diene-7-carboxamide
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| Structure |
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| Formula |
C20H20F3NO2S
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| Molecular Weight |
395.446
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| Canonical SMILES |
Cc1sc(C(=O)NCc2cccc(OC(F)(F)F)c2)c2C[C@H]3[C@@H](c12)C3(C)C
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| InChI |
InChI=1S/C20H20F3NO2S/c1-10-15-13(8-14-16(15)19(14,2)3)17(27-10)18(25)24-9-11-5-4-6-12(7-11)26-20(21,22)23/h4-7,14,16H,8-9H2,1-3H3,(H,24,25)/t14-,16-/m0/s1
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| InChIKey |
CKEKSOUQZDEDNJ-HOCLYGCPSA-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