General Information of the Compound
| Compound ID |
CP0488691
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| Compound Name |
ethyl 6-methyl-2-(naphthalen-1-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Structure |
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| Formula |
C23H24N2O2S2
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| Molecular Weight |
424.591
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| Canonical SMILES |
CCOC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2CC(C)CCc12
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| InChI |
InChI=1S/C23H24N2O2S2/c1-3-27-22(26)20-17-12-11-14(2)13-19(17)29-21(20)25-23(28)24-18-10-6-8-15-7-4-5-9-16(15)18/h4-10,14H,3,11-13H2,1-2H3,(H2,24,25,28)
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| InChIKey |
QAICLNXJPPIDKY-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