General Information of the Compound
| Compound ID |
CP0559678
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| Compound Name |
US11304929, Example 02-010
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| Structure |
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| Formula |
C21H22N4O5S
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| Molecular Weight |
442.497
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| Canonical SMILES |
COC(=O)CS(=O)(=O)c1ccc(cn1)[C@@H](C)NC(=O)c1cc(nn1C)-c1ccccc1
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| InChI |
InChI=1S/C21H22N4O5S/c1-14(16-9-10-19(22-12-16)31(28,29)13-20(26)30-3)23-21(27)18-11-17(24-25(18)2)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,23,27)/t14-/m1/s1
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| InChIKey |
AFXPMHCVLMMYSX-CQSZACIVSA-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