General Information of the Compound
| Compound ID |
CP0402759
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| Compound Name |
US9422235, 68
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| Structure |
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| Formula |
C18H15Cl2F3N2O4S
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| Molecular Weight |
483.295
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| Canonical SMILES |
COC(=O)C1(CC1)NS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F
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| InChI |
InChI=1S/C18H15Cl2F3N2O4S/c1-29-16(26)17(6-7-17)25-30(27,28)15-5-3-11(9-12(15)18(21,22)23)24-14-4-2-10(19)8-13(14)20/h2-5,8-9,24-25H,6-7H2,1H3
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| InChIKey |
JSLNVGCXCYISCR-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