General Information of the Compound
| Compound ID |
CP0352076
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| Compound Name |
US10435369, Example 149
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| Structure |
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| Formula |
C28H27F8NO5S2
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| Molecular Weight |
673.644
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H27F8NO5S2/c29-19-3-5-20(6-4-19)44(41,42)25-12-9-23(37-24(38)16-10-13-43(39,40)14-11-16)22(25)7-1-17-15-18(2-8-21(17)25)26(30,27(31,32)33)28(34,35)36/h2-6,8,15-16,22-23H,1,7,9-14H2,(H,37,38)/t22-,23+,25+/m0/s1
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| InChIKey |
LOOWXSUDJJEUCC-JBRSBNLGSA-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