General Information of the Compound
| Compound ID |
CP0198578
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| Compound Name |
methyl 3-[4-[[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]-methylsulfamoyl]phenyl]propanoate
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| Structure |
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| Formula |
C21H22ClF3N2O6S
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| Molecular Weight |
522.929
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| Canonical SMILES |
COC(=O)CCc1ccc(cc1)S(=O)(=O)N(C)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1
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| InChI |
InChI=1S/C21H22ClF3N2O6S/c1-20(30,21(23,24)25)19(29)26-17-10-7-14(12-16(17)22)27(2)34(31,32)15-8-4-13(5-9-15)6-11-18(28)33-3/h4-5,7-10,12,30H,6,11H2,1-3H3,(H,26,29)
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| InChIKey |
IWUARVFFASOWHD-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