General Information of the Compound
| Compound ID |
CP0507714
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| Compound Name |
US9422235, 80
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| Structure |
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| Formula |
C18H24F3N3O2S
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| Molecular Weight |
403.47
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| Canonical SMILES |
FC(F)(F)c1cc(NC2CN3CCC2CC3)ccc1S(=O)(=O)NCC1CC1
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| InChI |
InChI=1S/C18H24F3N3O2S/c19-18(20,21)15-9-14(23-16-11-24-7-5-13(16)6-8-24)3-4-17(15)27(25,26)22-10-12-1-2-12/h3-4,9,12-13,16,22-23H,1-2,5-8,10-11H2
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| InChIKey |
FQXWTIPTBMKIOQ-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