General Information of the Compound
| Compound ID |
CP0560822
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| Compound Name |
US10435369, Example 26
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| Structure |
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| Formula |
C23H19F8NO3S
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| Molecular Weight |
541.46
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| Canonical SMILES |
NC(=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/C23H19F8NO3S/c24-14-3-5-15(6-4-14)36(34,35)20-10-9-16(19(32)33)18(20)7-1-12-11-13(2-8-17(12)20)21(25,22(26,27)28)23(29,30)31/h2-6,8,11,16,18H,1,7,9-10H2,(H2,32,33)/t16-,18+,20-/m1/s1
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| InChIKey |
GNHYLWRHHLTWJO-IMFGXOCKSA-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