General Information of the Compound
| Compound ID |
CP0497248
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| Compound Name |
US10435369, Example 62
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| Structure |
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| Formula |
C25H23F8NO4S
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| Molecular Weight |
585.513
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| Canonical SMILES |
OCCNC(=O)[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H23F8NO4S/c26-16-3-5-17(6-4-16)39(37,38)22-10-9-18(21(36)34-11-12-35)20(22)7-1-14-13-15(2-8-19(14)22)23(27,24(28,29)30)25(31,32)33/h2-6,8,13,18,20,35H,1,7,9-12H2,(H,34,36)/t18-,20+,22-/m1/s1
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| InChIKey |
YCVFUOQAALBUMC-KAGYGMCKSA-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