General Information of the Compound
| Compound ID |
CP0913785
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| Compound Name |
dimethyl 2,6-dimethyl-4-(2-(methylthio)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C18H21NO4S
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| Molecular Weight |
347.436
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1SC
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| InChI |
InChI=1S/C18H21NO4S/c1-10-14(17(20)22-3)16(12-8-6-7-9-13(12)24-5)15(11(2)19-10)18(21)23-4/h6-9,16,19H,1-5H3
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| InChIKey |
WGEUTJOZQQYHFF-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: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D