General Information of the Compound
| Compound ID |
CP0554375
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| Compound Name |
US9434711, 71
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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)C(C)CS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C22H21F4NO4S2/c1-13(21(28)31-3)12-33(29,30)27(20-14(2)16-6-4-5-7-19(16)32-20)11-15-8-9-18(23)17(10-15)22(24,25)26/h4-10,13H,11-12H2,1-3H3
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| InChIKey |
XGVQNZHWWRRFTI-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