General Information of the Compound
| Compound ID |
CP0551987
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| Compound Name |
US11304929, Example 06-002
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| Structure |
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| Formula |
C24H26FN3O5S
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| Molecular Weight |
487.553
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| Canonical SMILES |
COC(=O)C(C)(C)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc(nn1C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H26FN3O5S/c1-15(16-8-12-19(13-9-16)34(31,32)24(2,3)23(30)33-5)26-22(29)21-14-20(27-28(21)4)17-6-10-18(25)11-7-17/h6-15H,1-5H3,(H,26,29)/t15-/m1/s1
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| InChIKey |
OPUXIAHMXLNJDG-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