General Information of the Compound
| Compound ID |
CP0563783
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| Compound Name |
US9422235, 15
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| Structure |
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| Formula |
C18H17F5N2O3S
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| Molecular Weight |
436.402
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| Canonical SMILES |
Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CCCO2)c(F)c1
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| InChI |
InChI=1S/C18H17F5N2O3S/c19-11-3-5-16(15(20)8-11)25-12-4-6-17(14(9-12)18(21,22)23)29(26,27)24-10-13-2-1-7-28-13/h3-6,8-9,13,24-25H,1-2,7,10H2
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| InChIKey |
OJJCQFOTNUROSV-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