General Information of the Compound
| Compound ID |
CP0402574
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| Compound Name |
US9303045, 32
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| Structure |
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| Formula |
C19H20F4N2O3
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| Molecular Weight |
400.372
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| Canonical SMILES |
CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12
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| InChI |
InChI=1S/C19H20F4N2O3/c1-24-12-5-14(6-13(24)9-27-8-12)28-18(26)16-7-25(10-19(21,22)23)17-3-2-11(20)4-15(16)17/h2-4,7,12-14H,5-6,8-10H2,1H3
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| InChIKey |
STBDSMGFBBRHLJ-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