General Information of the Compound
| Compound ID |
CP0561965
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| Compound Name |
US9434711, 568
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| Structure |
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| Formula |
C23H24F3NO4S2
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| Molecular Weight |
499.576
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| Canonical SMILES |
CC(C)c1c(sc2ccccc12)N(CCCCC(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H24F3NO4S2/c1-15(2)20-18-7-3-4-8-19(18)32-21(20)27(14-6-5-13-23(24,25)26)33(30,31)17-11-9-16(10-12-17)22(28)29/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,28,29)
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| InChIKey |
IYPNFYVNHDYULL-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