General Information of the Compound
| Compound ID |
CP0522219
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| Compound Name |
US9365558, 96
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| Structure |
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| Formula |
C28H27F7N2O6S
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| Molecular Weight |
652.585
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| Canonical SMILES |
CCOc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C28H27F7N2O6S/c1-2-42-17-6-4-16(5-7-17)20-15-26(28(33,34)35,36-24(38)23(20)25(39)37-44(40,41)19-9-10-19)21-11-8-18(14-22(21)29)43-13-3-12-27(30,31)32/h4-8,11,14,19H,2-3,9-10,12-13,15H2,1H3,(H,36,38)(H,37,39)/t26-/m0/s1
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| InChIKey |
QVWXNGBWIAQGRD-SANMLTNESA-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