General Information of the Compound
| Compound ID |
CP0873833
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| Compound Name |
US9040693, 48
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| Structure |
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| Formula |
C22H16F2N2O6S
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| Molecular Weight |
474.441
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| Canonical SMILES |
COc1cccc(F)c1C(C)Oc1ccc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1
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| InChI |
InChI=1S/C22H16F2N2O6S/c1-10(17-13(24)4-3-5-16(17)31-2)32-11-6-7-12(23)15(8-11)26-20(27)18-14(25-22(26)30)9-33-19(18)21(28)29/h3-10H,1-2H3,(H,25,30)(H,28,29)
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| InChIKey |
MHUIXNPUEJMNCS-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