General Information of the Compound
| Compound ID |
CP0528791
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| Compound Name |
(1R,2S)-2-[[7-fluoro-8-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxymethyl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C30H32FN5O6
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| Molecular Weight |
577.613
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| Canonical SMILES |
OC(=O)[C@@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
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| InChI |
InChI=1S/C30H32FN5O6/c31-21-13-32-22-2-4-25(41-14-17-11-20(17)28(38)39)36-26(22)19(21)5-6-30-9-7-29(8-10-30,16-42-30)33-12-18-1-3-23-27(34-18)35-24(37)15-40-23/h1-4,13,17,20,33H,5-12,14-16H2,(H,38,39)(H,34,35,37)/t17-,20-,29?,30?/m1/s1
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| InChIKey |
VATRZDWMOKJFRC-JEKTTYBVSA-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