General Information of the Compound
| Compound ID |
CP0399853
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| Compound Name |
US9303045, 33
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| Structure |
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| Formula |
C20H22F4N2O3
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| Molecular Weight |
414.399
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| Canonical SMILES |
FCCN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ccc(F)cc12
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| InChI |
InChI=1S/C20H22F4N2O3/c21-3-4-26-13-6-15(7-14(26)11-28-10-13)29-20(27)17-8-25(9-19(23)24)18-2-1-12(22)5-16(17)18/h1-2,5,8,13-15,19H,3-4,6-7,9-11H2
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| InChIKey |
NLNNITSRTCZBMV-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