General Information of the Compound
| Compound ID |
CP0410551
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| Compound Name |
US8791272, 11.1
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| Structure |
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| Formula |
C26H29F3N4O4S
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| Molecular Weight |
550.603
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c(C)c1CC(=O)NS(=O)(=O)C(C)(C)C
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| InChI |
InChI=1S/C26H29F3N4O4S/c1-16-22(14-23(34)32-38(36,37)25(3,4)5)17(2)33(31-16)15-18-6-12-21(13-7-18)30-24(35)19-8-10-20(11-9-19)26(27,28)29/h6-13H,14-15H2,1-5H3,(H,30,35)(H,32,34)
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| InChIKey |
KJGTVPMULQSREB-UHFFFAOYSA-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