General Information of the Compound
| Compound ID |
CP0573026
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| Compound Name |
methyl (2R)-3-prop-2-enylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
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| Structure |
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| Formula |
C17H23NO6S
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| Molecular Weight |
369.439
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| Canonical SMILES |
COC(=O)[C@H](CSCC=C)NC(=O)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C17H23NO6S/c1-6-7-25-10-12(17(20)24-5)18-16(19)11-8-13(21-2)15(23-4)14(9-11)22-3/h6,8-9,12H,1,7,10H2,2-5H3,(H,18,19)/t12-/m0/s1
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| InChIKey |
GHUIFWZERLHEDK-LBPRGKRZSA-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