General Information of the Compound
| Compound ID |
CP0546815
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| Compound Name |
US8791272, 5.2
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| Structure |
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| Formula |
C20H20ClN3O4S
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| Molecular Weight |
433.917
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| Canonical SMILES |
Cc1nn(Cc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C20H20ClN3O4S/c1-13-19(11-20(25)26)14(2)24(22-13)12-15-3-7-17(8-4-15)23-29(27,28)18-9-5-16(21)6-10-18/h3-10,23H,11-12H2,1-2H3,(H,25,26)
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| InChIKey |
KNGBXCLWHHBUMS-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