General Information of the Compound
| Compound ID |
CP0562454
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| Compound Name |
US9365558, 7
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| Structure |
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| Formula |
C24H24F6N2O5S2
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| Molecular Weight |
598.587
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| Canonical SMILES |
CCc1ccc(s1)C1=C(C(=O)NS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H24F6N2O5S2/c1-3-16-9-10-18(38-16)17-13-22(24(28,29)30,31-20(33)19(17)21(34)32-39(2,35)36)14-5-7-15(8-6-14)37-12-4-11-23(25,26)27/h5-10H,3-4,11-13H2,1-2H3,(H,31,33)(H,32,34)/t22-/m0/s1
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| InChIKey |
AIVOROMRVZJJCI-QFIPXVFZSA-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