General Information of the Compound
| Compound ID |
CP0449978
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| Compound Name |
US9303045, 142
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| Structure |
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| Formula |
C18H19FN4O3
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| Molecular Weight |
358.373
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| Canonical SMILES |
CN1C2COCC1CC(C2)OC(=O)c1cn(CC#N)c2c(F)nccc12
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| InChI |
InChI=1S/C18H19FN4O3/c1-22-11-6-13(7-12(22)10-25-9-11)26-18(24)15-8-23(5-3-20)16-14(15)2-4-21-17(16)19/h2,4,8,11-13H,5-7,9-10H2,1H3
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| InChIKey |
XCAQXVJAJXHJEO-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