General Information of the Compound
| Compound ID |
CP0548105
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| Compound Name |
US10167273, Example 24
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| Structure |
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| Formula |
C18H24ClN3O3S
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| Molecular Weight |
397.928
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| Canonical SMILES |
CC1CC(CCN1S(=O)(=O)c1c(C)nn(C)c1C)Oc1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H24ClN3O3S/c1-12-11-17(25-16-7-5-15(19)6-8-16)9-10-22(12)26(23,24)18-13(2)20-21(4)14(18)3/h5-8,12,17H,9-11H2,1-4H3
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| InChIKey |
KPGWYYYJUFBVGB-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