General Information of the Compound
| Compound ID |
CP0548093
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| Compound Name |
US10167273, Example 57
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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 |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C18H24ClN3O3S/c1-13-17(14(2)21(3)20-13)26(24,25)22-10-8-18(23,9-11-22)12-15-4-6-16(19)7-5-15/h4-7,23H,8-12H2,1-3H3
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| InChIKey |
YVDXRGVJGBJRDN-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