General Information of the Compound
| Compound ID |
CP0550979
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| Compound Name |
US8916553, 184
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| Structure |
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| Formula |
C17H17F3N2O3S
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| Molecular Weight |
386.395
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| Canonical SMILES |
Cc1ccncc1-c1ccc(NS(=O)(=O)C2CC2)cc1OCC(F)(F)F
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| InChI |
InChI=1S/C17H17F3N2O3S/c1-11-6-7-21-9-15(11)14-5-2-12(22-26(23,24)13-3-4-13)8-16(14)25-10-17(18,19)20/h2,5-9,13,22H,3-4,10H2,1H3
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| InChIKey |
RGISTVKRBXARFO-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