General Information of the Compound
| Compound ID |
CP0177354
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| Compound Name |
6-[[[1-[2-[3-(hydroxymethyl)-6-methoxy-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 |
C27H31N5O5
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| Molecular Weight |
505.575
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| Canonical SMILES |
COc1ccc2ncc(CO)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
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| InChI |
InChI=1S/C27H31N5O5/c1-35-23-5-3-20-24(32-23)19(17(14-33)12-28-20)6-7-27-10-8-26(9-11-27,16-37-27)29-13-18-2-4-21-25(30-18)31-22(34)15-36-21/h2-5,12,29,33H,6-11,13-16H2,1H3,(H,30,31,34)
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| InChIKey |
VNEPIIATPXNUDN-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