General Information of the Compound
| Compound ID |
CP0517102
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| Compound Name |
US9434711, 356
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| Structure |
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| Formula |
C23H21F3N2O3S2
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| Molecular Weight |
494.56
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| Canonical SMILES |
COc1ccc(c2cccnc12)S(=O)(=O)N(CCCC(F)(F)F)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C23H21F3N2O3S2/c1-15-16-7-3-4-9-19(16)32-22(15)28(14-6-12-23(24,25)26)33(29,30)20-11-10-18(31-2)21-17(20)8-5-13-27-21/h3-5,7-11,13H,6,12,14H2,1-2H3
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| InChIKey |
FVHMBLVSIIHDCN-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