General Information of the Compound
| Compound ID |
CP0558524
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| Compound Name |
(2E)-2-[[2-[(4-fluorophenyl)methoxy]-5-[(2-oxo-1H-quinolin-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[nH]c(=O)ccc3c2)ccc1OCc1ccc(F)cc1)C(O)=O
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| InChI |
InChI=1S/C29H26FNO5/c1-2-3-22(29(33)34)15-23-16-25(10-12-27(23)36-17-19-4-8-24(30)9-5-19)35-18-20-6-11-26-21(14-20)7-13-28(32)31-26/h4-16H,2-3,17-18H2,1H3,(H,31,32)(H,33,34)/b22-15+
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| InChIKey |
WYMAYMQPHLBVIP-PXLXIMEGSA-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