General Information of the Compound
| Compound ID |
CP0136217
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| Compound Name |
US10435369, Example 30
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| Structure |
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| Formula |
C27H27F8NO4S
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| Molecular Weight |
613.567
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| Canonical SMILES |
CC(C)(O)CNC(=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/C27H27F8NO4S/c1-23(2,38)14-36-22(37)19-11-12-24(41(39,40)18-7-5-17(28)6-8-18)20-10-4-16(13-15(20)3-9-21(19)24)25(29,26(30,31)32)27(33,34)35/h4-8,10,13,19,21,38H,3,9,11-12,14H2,1-2H3,(H,36,37)/t19-,21+,24-/m1/s1
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| InChIKey |
QYNFVEHOGUQHMA-NHCICSSKSA-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