General Information of the Compound
| Compound ID |
CP0555268
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| Compound Name |
US9187424, 251
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| Structure |
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| Formula |
C27H26F8N2O6S
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| Molecular Weight |
658.564
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| Canonical SMILES |
CS(=O)(=O)CC(=O)NC1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(OCC(F)F)cc1
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| InChI |
InChI=1S/C27H26F8N2O6S/c1-44(40,41)15-22(38)36-23-20(16-3-7-19(8-4-16)43-14-21(28)29)13-25(27(33,34)35,37-24(23)39)17-5-9-18(10-6-17)42-12-2-11-26(30,31)32/h3-10,21H,2,11-15H2,1H3,(H,36,38)(H,37,39)
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| InChIKey |
KNDMVEYHQDTKST-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