General Information of the Compound
| Compound ID |
CP0556086
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| Compound Name |
US8987445, 148
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| Structure |
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| Formula |
C24H15BrClF3N2O5S
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| Molecular Weight |
615.811
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc2c(Cl)cccc2c(Br)n1
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| InChI |
InChI=1S/C24H15BrClF3N2O5S/c25-22-18-2-1-3-20(26)19(18)12-21(30-22)31(13-14-4-8-16(9-5-14)36-24(27,28)29)37(34,35)17-10-6-15(7-11-17)23(32)33/h1-12H,13H2,(H,32,33)
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| InChIKey |
DIEPABRRDSIOFR-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