General Information of the Compound
| Compound ID |
CP0445046
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| Compound Name |
US9434711, 839
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| Structure |
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| Formula |
C21H21F4NO3S2
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| Molecular Weight |
475.529
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| Canonical SMILES |
CCS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C(C)OC
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| InChI |
InChI=1S/C21H21F4NO3S2/c1-4-31(27,28)26(12-14-9-10-17(22)16(11-14)21(23,24)25)20-19(13(2)29-3)15-7-5-6-8-18(15)30-20/h5-11,13H,4,12H2,1-3H3
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| InChIKey |
XNUAVYXDHLPDAF-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