General Information of the Compound
| Compound ID |
CP0525252
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| Compound Name |
US9303045, 50
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| Structure |
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| Formula |
C20H21F5N2O3
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| Molecular Weight |
432.389
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| Canonical SMILES |
FCCN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12
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| InChI |
InChI=1S/C20H21F5N2O3/c21-3-4-27-13-6-15(7-14(27)10-29-9-13)30-19(28)17-8-26(11-20(23,24)25)18-2-1-12(22)5-16(17)18/h1-2,5,8,13-15H,3-4,6-7,9-11H2
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| InChIKey |
OSICXRMSIOVCIV-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