General Information of the Compound
| Compound ID |
CP0531727
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| Compound Name |
US11304929, Example 02-004
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| Structure |
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| Formula |
C23H24FN3O5S
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| Molecular Weight |
473.526
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| Canonical SMILES |
CCOC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc(nn1C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H24FN3O5S/c1-4-32-22(28)14-33(30,31)19-11-7-16(8-12-19)15(2)25-23(29)21-13-20(26-27(21)3)17-5-9-18(24)10-6-17/h5-13,15H,4,14H2,1-3H3,(H,25,29)/t15-/m1/s1
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| InChIKey |
QSDBDMOJVLLAQV-OAHLLOKOSA-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