General Information of the Compound
| Compound ID |
CP0538977
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| Compound Name |
methyl 3-[3-(4-bromophenyl)sulfanylpropanoylamino]-1-benzothiophene-2-carboxylate
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| Structure |
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| Formula |
C19H16BrNO3S2
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| Molecular Weight |
450.379
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| Canonical SMILES |
COC(=O)c1sc2ccccc2c1NC(=O)CCSc1ccc(Br)cc1
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| InChI |
InChI=1S/C19H16BrNO3S2/c1-24-19(23)18-17(14-4-2-3-5-15(14)26-18)21-16(22)10-11-25-13-8-6-12(20)7-9-13/h2-9H,10-11H2,1H3,(H,21,22)
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| InChIKey |
OCWMGHXUVBAPIR-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