General Information of the Compound
| Compound ID |
CP0494728
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| Compound Name |
S-tert-butyl 4-(4-methoxyphenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3-carbothioate
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| Structure |
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| Formula |
C24H27NO2S
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| Molecular Weight |
393.552
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| Canonical SMILES |
COc1ccc(cc1)C1C=C(NC(C)=C1C(=O)SC(C)(C)C)c1ccccc1
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| InChI |
InChI=1S/C24H27NO2S/c1-16-22(23(26)28-24(2,3)4)20(17-11-13-19(27-5)14-12-17)15-21(25-16)18-9-7-6-8-10-18/h6-15,20,25H,1-5H3
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| InChIKey |
RGSQYERELHRACU-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