General Information of the Compound
| Compound ID |
CP0566331
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| Compound Name |
US9434711, 67
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| Structure |
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| Formula |
C25H18F4N2O4S2
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| Molecular Weight |
550.555
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C25H18F4N2O4S2/c1-14-17-4-2-3-5-22(17)36-24(14)31(12-15-6-8-19(26)18(10-15)25(27,28)29)37(33,34)16-7-9-21-20(11-16)30-23(32)13-35-21/h2-11H,12-13H2,1H3,(H,30,32)
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| InChIKey |
JHHQIJNCNCMFCY-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