General Information of the Compound
| Compound ID |
CP0570335
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| Compound Name |
US10435369, Example 67
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| Structure |
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| Formula |
C29H31F8NO4S
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| Molecular Weight |
641.621
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| Canonical SMILES |
CC(C)(O)C(C)(C)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/C29H31F8NO4S/c1-24(2,25(3,4)40)38-23(39)20-13-14-26(43(41,42)19-9-7-18(30)8-10-19)21-12-6-17(15-16(21)5-11-22(20)26)27(31,28(32,33)34)29(35,36)37/h6-10,12,15,20,22,40H,5,11,13-14H2,1-4H3,(H,38,39)/t20-,22+,26-/m1/s1
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| InChIKey |
BZKZSZQTDPWXFL-LIXHSBQKSA-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