General Information of the Compound
| Compound ID |
CP0442259
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| Compound Name |
US8987445, 124
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| Structure |
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| Formula |
C26H22F3N3O5S
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| Molecular Weight |
545.539
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| Canonical SMILES |
CONC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc2ccccc2c1C
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| InChI |
InChI=1S/C26H22F3N3O5S/c1-17-23-6-4-3-5-20(23)15-30-24(17)32(16-18-7-11-21(12-8-18)37-26(27,28)29)38(34,35)22-13-9-19(10-14-22)25(33)31-36-2/h3-15H,16H2,1-2H3,(H,31,33)
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| InChIKey |
KWJPHZLJVSAIRS-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