General Information of the Compound
| Compound ID |
CP0196573
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| Compound Name |
ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Structure |
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| Formula |
C18H20N2O2S2
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| Molecular Weight |
360.504
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| Canonical SMILES |
CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCCc12
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| InChI |
InChI=1S/C18H20N2O2S2/c1-2-22-17(21)15-13-10-6-7-11-14(13)24-16(15)20-18(23)19-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,19,20,23)
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| InChIKey |
LLGKQAVFOOLYNJ-UHFFFAOYSA-N
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| CAS |
42076-12-0
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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