General Information of the Compound
| Compound ID |
CP0480091
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| Compound Name |
US10435369, Example 131
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| Structure |
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| Formula |
C28H27F8NO5S
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| Molecular Weight |
641.577
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| Canonical SMILES |
OC1(CCOCC1)C(=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/C28H27F8NO5S/c29-18-3-5-19(6-4-18)43(40,41)25-10-9-22(37-23(38)24(39)11-13-42-14-12-24)21(25)7-1-16-15-17(2-8-20(16)25)26(30,27(31,32)33)28(34,35)36/h2-6,8,15,21-22,39H,1,7,9-14H2,(H,37,38)/t21-,22+,25+/m0/s1
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| InChIKey |
LFAYVOLNYZLVHP-SGIRGMQISA-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