General Information of the Compound
| Compound ID |
CP0442253
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| Compound Name |
US8987445, 34
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| Structure |
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| Formula |
C26H20F3N2NaO6S
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| Molecular Weight |
568.505
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| Canonical SMILES |
COc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(cc2)C(=O)O[Na])c(C)c2ccccc12
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| InChI |
InChI=1S/C26H21F3N2O6S.Na/c1-16-21-5-3-4-6-22(21)24(36-2)30-23(16)31(15-17-7-11-19(12-8-17)37-26(27,28)29)38(34,35)20-13-9-18(10-14-20)25(32)33;/h3-14H,15H2,1-2H3,(H,32,33);/q;+1/p-1
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| InChIKey |
IUTIAEYDHHHCAR-UHFFFAOYSA-M
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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