General Information of the Compound
| Compound ID |
CP0426625
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| Compound Name |
US8791272, 19.4
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| Structure |
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| Formula |
C23H26N2O3S
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| Molecular Weight |
410.539
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)S(=O)Cc2ccccc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C23H26N2O3S/c1-3-21-20(14-23(26)27)22(4-2)25(24-21)15-17-10-12-19(13-11-17)29(28)16-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,27)
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| InChIKey |
QSQTULRLFJHUCH-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