General Information of the Compound
| Compound ID |
CP0535635
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| Compound Name |
US8796328, 19
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| Structure |
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| Formula |
C23H27F4N3O5S
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| Molecular Weight |
533.544
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2ccc(OC(F)(F)F)cc2O1
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| InChI |
InChI=1S/C23H27F4N3O5S/c1-4-22(5-2)12-19(16-8-7-15(11-20(16)35-22)34-23(25,26)27)29-21(31)28-13-14-6-9-18(17(24)10-14)30-36(3,32)33/h6-11,19,30H,4-5,12-13H2,1-3H3,(H2,28,29,31)/t19-/m1/s1
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| InChIKey |
GJEYJAOKPYIKHI-LJQANCHMSA-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