General Information of the Compound
| Compound ID |
CP0449892
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| Compound Name |
methyl 3-[3-(4-bromophenyl)sulfanylpropanoylamino]thiophene-2-carboxylate
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| Structure |
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| Formula |
C15H14BrNO3S2
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| Molecular Weight |
400.319
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| Canonical SMILES |
COC(=O)c1sccc1NC(=O)CCSc1ccc(Br)cc1
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| InChI |
InChI=1S/C15H14BrNO3S2/c1-20-15(19)14-12(6-8-22-14)17-13(18)7-9-21-11-4-2-10(16)3-5-11/h2-6,8H,7,9H2,1H3,(H,17,18)
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| InChIKey |
INQGNSCQLLMTKE-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