General Information of the Compound
| Compound ID |
CP0121175
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| Compound Name |
US9340555, F4
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| Structure |
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| Formula |
C23H18FN3O3S
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| Molecular Weight |
435.48
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| Canonical SMILES |
COC(=O)c1cc2nccc(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1
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| InChI |
InChI=1S/C23H18FN3O3S/c1-13-3-8-17(24)18(11-13)27-23(29)26-15-6-4-14(5-7-15)16-9-10-25-19-12-20(22(28)30-2)31-21(16)19/h3-12H,1-2H3,(H2,26,27,29)
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| InChIKey |
TVCVLFYBAYEPTE-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