General Information of the Compound
| Compound ID |
CP0366449
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| Compound Name |
6-[[[1-[(1S)-2-[3-fluoro-6-(2-hydroxyethoxy)-1,5-naphthyridin-4-yl]-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
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| Structure |
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| Formula |
C27H30FN5O6
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| Molecular Weight |
539.564
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| Canonical SMILES |
OCCOc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
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| InChI |
InChI=1S/C27H30FN5O6/c28-18-13-29-19-2-4-23(37-10-9-34)33-24(19)17(18)11-21(35)27-7-5-26(6-8-27,15-39-27)30-12-16-1-3-20-25(31-16)32-22(36)14-38-20/h1-4,13,21,30,34-35H,5-12,14-15H2,(H,31,32,36)/t21-,26?,27?/m0/s1
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| InChIKey |
RAABKQRUDXNJMT-HTFLBPPUSA-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