General Information of the Compound
| Compound ID |
CP0488689
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| Compound Name |
ethyl 2-(phenylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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| Structure |
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| Formula |
C19H22N2O3S
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| Molecular Weight |
358.463
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| Canonical SMILES |
CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2CCCCCc12
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| InChI |
InChI=1S/C19H22N2O3S/c1-2-24-18(22)16-14-11-7-4-8-12-15(14)25-17(16)21-19(23)20-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H2,20,21,23)
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| InChIKey |
LYEWOJDPFQGQBP-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