General Information of the Compound
| Compound ID |
CP0007530
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| Compound Name |
methyl (2R)-3-pent-4-enylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
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| Structure |
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| Formula |
C19H27NO6S
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| Molecular Weight |
397.493
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| Canonical SMILES |
COC(=O)[C@H](CSCCCC=C)NC(=O)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C19H27NO6S/c1-6-7-8-9-27-12-14(19(22)26-5)20-18(21)13-10-15(23-2)17(25-4)16(11-13)24-3/h6,10-11,14H,1,7-9,12H2,2-5H3,(H,20,21)/t14-/m0/s1
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| InChIKey |
DNJOCWLCVQTVNZ-AWEZNQCLSA-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