General Information of the Compound
| Compound ID |
CP0472976
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| Compound Name |
US11304929, Example 01-028
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| Structure |
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| Formula |
C23H24F2N2O6S
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| Molecular Weight |
494.516
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| Canonical SMILES |
CCOC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1cc2c(F)c(F)c(C)cc2n1C
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| InChI |
InChI=1S/C23H24F2N2O6S/c1-4-33-20(29)12-34(31,32)15-7-5-14(6-8-15)17(11-28)26-23(30)19-10-16-18(27(19)3)9-13(2)21(24)22(16)25/h5-10,17,28H,4,11-12H2,1-3H3,(H,26,30)/t17-/m1/s1
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| InChIKey |
VZDADGTXKYIEDF-QGZVFWFLSA-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