General Information of the Compound
| Compound ID |
CP0488044
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| Compound Name |
methyl (2R)-3-[(4-fluorophenyl)methylsulfanyl]-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
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| Structure |
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| Formula |
C18H18FNO6S
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| Molecular Weight |
395.408
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| Canonical SMILES |
COC(=O)[C@H](CSCc1ccc(F)cc1)NC(=O)c1cc(O)c(O)c(O)c1
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| InChI |
InChI=1S/C18H18FNO6S/c1-26-18(25)13(9-27-8-10-2-4-12(19)5-3-10)20-17(24)11-6-14(21)16(23)15(22)7-11/h2-7,13,21-23H,8-9H2,1H3,(H,20,24)/t13-/m0/s1
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| InChIKey |
XPQSKXFEXSSBBY-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