General Information of the Compound
| Compound ID |
CP0554622
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| Compound Name |
US10435369, Example 205
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| Structure |
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| Formula |
C25H24F8N2O4S
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| Molecular Weight |
600.528
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| Canonical SMILES |
OCCNC(=O)N[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/C25H24F8N2O4S/c26-16-3-5-17(6-4-16)40(38,39)22-10-9-20(35-21(37)34-11-12-36)19(22)7-1-14-13-15(2-8-18(14)22)23(27,24(28,29)30)25(31,32)33/h2-6,8,13,19-20,36H,1,7,9-12H2,(H2,34,35,37)/t19-,20+,22+/m0/s1
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| InChIKey |
XSLZOVDVKRRVRO-TUNNFDKTSA-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