General Information of the Compound
| Compound ID |
CP0312652
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| Compound Name |
US9340555, F3
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| Structure |
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| Formula |
C23H18FN3O4S
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| Molecular Weight |
451.479
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| Canonical SMILES |
COC(=O)c1cc2nccc(Oc3cccc(NC(=O)Nc4cc(C)ccc4F)c3)c2s1
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| InChI |
InChI=1S/C23H18FN3O4S/c1-13-6-7-16(24)17(10-13)27-23(29)26-14-4-3-5-15(11-14)31-19-8-9-25-18-12-20(22(28)30-2)32-21(18)19/h3-12H,1-2H3,(H2,26,27,29)
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| InChIKey |
SJMKELNHAJGCDT-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