General Information of the Compound
| Compound ID |
CP0475592
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| Compound Name |
(2R,4S)-N-[[4-(ethoxymethyl)phenyl]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 |
C22H27NO2S
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| Molecular Weight |
369.53
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| Canonical SMILES |
CCOCc1ccc(CNC(=O)c2sc(C)c3[C@@H]4[C@H](Cc23)C4(C)C)cc1
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| InChI |
InChI=1S/C22H27NO2S/c1-5-25-12-15-8-6-14(7-9-15)11-23-21(24)20-16-10-17-19(22(17,3)4)18(16)13(2)26-20/h6-9,17,19H,5,10-12H2,1-4H3,(H,23,24)/t17-,19-/m0/s1
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| InChIKey |
JXXHRRXILZJBQG-HKUYNNGSSA-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