General Information of the Compound
| Compound ID |
CP0549865
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| Compound Name |
US9192603, 15
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| Structure |
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| Formula |
C20H20ClN3O3S2
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| Molecular Weight |
449.985
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| Canonical SMILES |
CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)C(C)c1ccccc1Cl
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| InChI |
InChI=1S/C20H20ClN3O3S2/c1-12(2)17-19(29(26,27)13(3)14-8-4-5-9-15(14)21)28-20(23-17)24-18(25)16-10-6-7-11-22-16/h4-13H,1-3H3,(H,23,24,25)
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| InChIKey |
VYDJTWWECBUAEO-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