General Information of the Compound
| Compound ID |
CP0512349
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| Compound Name |
US9422235, 82
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| Structure |
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| Formula |
C20H20ClF3N2O4S
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| Molecular Weight |
476.904
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| Canonical SMILES |
CC(C)(NS(=O)(=O)c1ccc(Nc2ccc(cc2Cl)C(O)=O)cc1C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C20H20ClF3N2O4S/c1-19(2,12-4-5-12)26-31(29,30)17-8-6-13(10-14(17)20(22,23)24)25-16-7-3-11(18(27)28)9-15(16)21/h3,6-10,12,25-26H,4-5H2,1-2H3,(H,27,28)
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| InChIKey |
RQFMOGUKCPEWEQ-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