General Information of the Compound
| Compound ID |
CP0413303
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| Compound Name |
US9192603, 24
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| Structure |
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| Formula |
C20H21N3O3S2
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| Molecular Weight |
415.54
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| Canonical SMILES |
CC(C)c1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C)cc1
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| InChI |
InChI=1S/C20H21N3O3S2/c1-13(2)16-9-7-15(8-10-16)12-28(25,26)19-14(3)22-20(27-19)23-18(24)17-6-4-5-11-21-17/h4-11,13H,12H2,1-3H3,(H,22,23,24)
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| InChIKey |
PGKLIZKBSJEMLX-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