General Information of the Compound
| Compound ID |
CP0158208
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| Compound Name |
US8501936, 82
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| Structure |
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| Formula |
C24H26N6O2S
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| Molecular Weight |
462.579
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4cccc(c4)S(C)(=O)=O)n3n2)cc1
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| InChI |
InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-11-9-19(10-12-20)25-24-26-23-8-4-7-22(30(23)27-24)18-5-3-6-21(17-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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| InChIKey |
XEFMGFQXNLZBQW-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