General Information of the Compound
| Compound ID |
CP0530506
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| Compound Name |
6-[[[1-[2-[6-methoxy-3-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethyl]-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 |
C27H28F3N5O4
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| Molecular Weight |
543.546
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| Canonical SMILES |
COc1ccc2ncc(c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F3N5O4/c1-37-22-5-3-19-23(35-22)17(18(13-31-19)27(28,29)30)6-7-26-10-8-25(9-11-26,15-39-26)32-12-16-2-4-20-24(33-16)34-21(36)14-38-20/h2-5,13,32H,6-12,14-15H2,1H3,(H,33,34,36)
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| InChIKey |
QRJUHNJTEGVWCR-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