General Information of the Compound
| Compound ID |
CP0578713
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| Compound Name |
ethyl 2-(naphthalen-1-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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)sc2CCCCCc12
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| InChI |
InChI=1S/C23H24N2O2S2/c1-2-27-22(26)20-17-12-4-3-5-14-19(17)29-21(20)25-23(28)24-18-13-8-10-15-9-6-7-11-16(15)18/h6-11,13H,2-5,12,14H2,1H3,(H2,24,25,28)
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| InChIKey |
POZZESAVRYDAQN-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