General Information of the Compound
| Compound ID |
CP0467901
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| Compound Name |
(2E)-2-[[2-[(4-fluorophenyl)methoxy]-5-[(1-oxidoquinolin-1-ium-6-yl)methoxy]phenyl]methylidene]pentanoic acid
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| Structure |
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| Formula |
C29H26FNO5
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| Molecular Weight |
487.527
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| Canonical SMILES |
CCC\C(=C/c1cc(OCc2ccc3[n+]([O-])cccc3c2)ccc1OCc1ccc(F)cc1)C(O)=O
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| InChI |
InChI=1S/C29H26FNO5/c1-2-4-23(29(32)33)16-24-17-26(11-13-28(24)36-18-20-6-9-25(30)10-7-20)35-19-21-8-12-27-22(15-21)5-3-14-31(27)34/h3,5-17H,2,4,18-19H2,1H3,(H,32,33)/b23-16+
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| InChIKey |
WGPHJMASTKJONS-XQNSMLJCSA-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