General Information of the Compound
| Compound ID |
CP0554374
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| Compound Name |
US9434711, 68
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| Structure |
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| Formula |
C26H22F4N2O3S2
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| Molecular Weight |
550.599
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| Canonical SMILES |
CN1CCOc2cc(ccc12)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C26H22F4N2O3S2/c1-16-19-5-3-4-6-24(19)36-25(16)32(15-17-7-9-21(27)20(13-17)26(28,29)30)37(33,34)18-8-10-22-23(14-18)35-12-11-31(22)2/h3-10,13-14H,11-12,15H2,1-2H3
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| InChIKey |
CXHKMWWBTONTQS-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