General Information of the Compound
| Compound ID |
CP0540332
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| Compound Name |
methyl 3,5-dibromo-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoate
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| Structure |
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| Formula |
C16H14Br2N2O3S
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| Molecular Weight |
474.174
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| Canonical SMILES |
COC(=O)c1cc(Br)cc(Br)c1NC(=O)CCSc1ccccn1
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| InChI |
InChI=1S/C16H14Br2N2O3S/c1-23-16(22)11-8-10(17)9-12(18)15(11)20-13(21)5-7-24-14-4-2-3-6-19-14/h2-4,6,8-9H,5,7H2,1H3,(H,20,21)
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| InChIKey |
OGZOCCHVNSXEQO-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