General Information of the Compound
| Compound ID |
CP0444985
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| Compound Name |
US9434711, 565
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| Structure |
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| Formula |
C24H26F3NO4S2
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| Molecular Weight |
513.603
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| Canonical SMILES |
COC(=O)c1ccc(cc1)S(=O)(=O)N(CCCCC(F)(F)F)c1sc2ccccc2c1C(C)C
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| InChI |
InChI=1S/C24H26F3NO4S2/c1-16(2)21-19-8-4-5-9-20(19)33-22(21)28(15-7-6-14-24(25,26)27)34(30,31)18-12-10-17(11-13-18)23(29)32-3/h4-5,8-13,16H,6-7,14-15H2,1-3H3
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| InChIKey |
ZWLWEPHRBAMPPK-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