General Information of the Compound
| Compound ID |
CP0445227
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| Compound Name |
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-7-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
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| Structure |
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| Formula |
C27H30FN5O4
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| Molecular Weight |
507.566
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| Canonical SMILES |
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4cc3C)c2n1
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| InChI |
InChI=1S/C27H30FN5O4/c1-16-11-21-25(32-22(34)14-36-21)31-20(16)13-30-26-7-9-27(10-8-26,37-15-26)6-5-17-18(28)12-29-19-3-4-23(35-2)33-24(17)19/h3-4,11-12,30H,5-10,13-15H2,1-2H3,(H,31,32,34)
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| InChIKey |
VWEJDPREEVXNAL-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