General Information of the Compound
| Compound ID |
CP0466482
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| Compound Name |
US9422235, 100
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| Structure |
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| Formula |
C17H18F3N3O2S
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| Molecular Weight |
385.411
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| Canonical SMILES |
FC(F)(F)c1cc(NCc2ccccn2)ccc1S(=O)(=O)NCC1CC1
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| InChI |
InChI=1S/C17H18F3N3O2S/c18-17(19,20)15-9-13(22-11-14-3-1-2-8-21-14)6-7-16(15)26(24,25)23-10-12-4-5-12/h1-3,6-9,12,22-23H,4-5,10-11H2
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| InChIKey |
WRBXITFAIAWGIF-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