General Information of the Compound
| Compound ID |
CP0544492
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| Compound Name |
methyl 3,4,5-trimethoxy-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoate
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| Structure |
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| Formula |
C19H22N2O6S
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| Molecular Weight |
406.46
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| Canonical SMILES |
COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)CCSc1ccccn1
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| InChI |
InChI=1S/C19H22N2O6S/c1-24-13-11-12(19(23)27-4)16(18(26-3)17(13)25-2)21-14(22)8-10-28-15-7-5-6-9-20-15/h5-7,9,11H,8,10H2,1-4H3,(H,21,22)
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| InChIKey |
KRTDAFTUEZERDL-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