General Information of the Compound
| Compound ID |
CP0451602
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| Compound Name |
US9434711, 757
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| Structure |
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| Formula |
C22H21F4NO4S2
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| Molecular Weight |
503.539
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| Canonical SMILES |
COC(=O)CCCS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C22H21F4NO4S2/c1-14-16-6-3-4-7-19(16)32-21(14)27(33(29,30)11-5-8-20(28)31-2)13-15-9-10-18(23)17(12-15)22(24,25)26/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3
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| InChIKey |
YCPUZYUUJXYERA-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