General Information of the Compound
| Compound ID |
CP0272596
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| Compound Name |
N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
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| Structure |
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| Formula |
C27H28FN5O5
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| Molecular Weight |
521.549
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| Canonical SMILES |
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)N(C)C(=O)c3ccc4OCC(=O)Nc4n3)c2n1
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| InChI |
InChI=1S/C27H28FN5O5/c1-33(25(35)19-3-5-20-24(30-19)31-21(34)14-37-20)26-9-11-27(12-10-26,38-15-26)8-7-16-17(28)13-29-18-4-6-22(36-2)32-23(16)18/h3-6,13H,7-12,14-15H2,1-2H3,(H,30,31,34)
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| InChIKey |
WLEYNTYCJZCVJM-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