General Information of the Compound
| Compound ID |
CP0384105
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| Compound Name |
US9303045, 89
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| Structure |
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| Formula |
C20H22F4N2O2
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| Molecular Weight |
398.4
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| Canonical SMILES |
CN1C2CCCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12
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| InChI |
InChI=1S/C20H22F4N2O2/c1-25-13-3-2-4-14(25)9-15(8-13)28-19(27)17-10-26(11-20(22,23)24)18-6-5-12(21)7-16(17)18/h5-7,10,13-15H,2-4,8-9,11H2,1H3
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| InChIKey |
CKIKUXKYDKONQK-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