General Information of the Compound
| Compound ID |
CP0475710
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| Compound Name |
US10167273, Example 14
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| Structure |
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| Formula |
C17H21BrFN3O3S
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| Molecular Weight |
446.342
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| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Br)cc1F
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| InChI |
InChI=1S/C17H21BrFN3O3S/c1-11-17(12(2)21(3)20-11)26(23,24)22-8-6-14(7-9-22)25-16-5-4-13(18)10-15(16)19/h4-5,10,14H,6-9H2,1-3H3
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| InChIKey |
MKOGIKITDSUWCY-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