General Information of the Compound
| Compound ID |
CP0419258
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| Compound Name |
US9434711, 656
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| Structure |
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| Formula |
C22H23BrF3NO3S2
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| Molecular Weight |
550.462
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| Canonical SMILES |
CC(C)(O)c1c(sc2ccccc12)N(CCCCC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C22H23BrF3NO3S2/c1-21(2,28)19-17-7-3-4-8-18(17)31-20(19)27(14-6-5-13-22(24,25)26)32(29,30)16-11-9-15(23)10-12-16/h3-4,7-12,28H,5-6,13-14H2,1-2H3
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| InChIKey |
ALVUNZGYEALBRH-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