General Information of the Compound
| Compound ID |
CP0552754
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| Compound Name |
methyl (2R)-3-benzylsulfanyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
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| Structure |
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| Formula |
C18H19NO6S
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| Molecular Weight |
377.418
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| Canonical SMILES |
COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1cc(O)c(O)c(O)c1
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| InChI |
InChI=1S/C18H19NO6S/c1-25-18(24)13(10-26-9-11-5-3-2-4-6-11)19-17(23)12-7-14(20)16(22)15(21)8-12/h2-8,13,20-22H,9-10H2,1H3,(H,19,23)/t13-/m0/s1
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| InChIKey |
ZTHJRQNUFUEXQS-ZDUSSCGKSA-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