General Information of the Compound
| Compound ID |
CP0539545
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| Compound Name |
US8916553, 167
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| Structure |
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| Formula |
C14H14F3N3O3S
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| Molecular Weight |
361.345
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| Canonical SMILES |
COc1cc(NS(=O)(=O)CC(F)(F)F)ccc1-c1cncnc1C
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| InChI |
InChI=1S/C14H14F3N3O3S/c1-9-12(6-18-8-19-9)11-4-3-10(5-13(11)23-2)20-24(21,22)7-14(15,16)17/h3-6,8,20H,7H2,1-2H3
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| InChIKey |
IZPKUSZUVXMCKF-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