General Information of the Compound
| Compound ID |
CP0548096
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| Compound Name |
US10167273, Example 77
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| Structure |
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| Formula |
C16H20ClFN4O3S
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| Molecular Weight |
402.879
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| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ncc(Cl)cc1F
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| InChI |
InChI=1S/C16H20ClFN4O3S/c1-10-15(11(2)21(3)20-10)26(23,24)22-6-4-13(5-7-22)25-16-14(18)8-12(17)9-19-16/h8-9,13H,4-7H2,1-3H3
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| InChIKey |
UZMYXJQCZNOLRL-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