General Information of the Compound
| Compound ID |
CP0104858
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| Compound Name |
US9464076, 109
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| Structure |
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| Formula |
C25H24N2O5S2
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| Molecular Weight |
496.61
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(CS(C)(=O)=O)cccc4n3)c(C)c12
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| InChI |
InChI=1S/C25H24N2O5S2/c1-14-22-16(12-32-3)8-9-18(15(2)28)24(22)33-23(14)25(29)27-21-11-10-19-17(13-34(4,30)31)6-5-7-20(19)26-21/h5-11H,12-13H2,1-4H3,(H,26,27,29)
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| InChIKey |
LDJQZRMSPBZCDR-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