General Information of the Compound
| Compound ID |
CP0576276
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| Compound Name |
(E)-3-[2-[(4-fluorophenyl)methoxy]-5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]-2-methylprop-2-enoic acid
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| Structure |
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| Formula |
C29H23F4NO5
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| Molecular Weight |
541.497
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| Canonical SMILES |
COc1cc(nc2ccc(COc3ccc(OCc4ccc(F)cc4)c(\C=C(/C)C(O)=O)c3)cc12)C(F)(F)F
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| InChI |
InChI=1S/C29H23F4NO5/c1-17(28(35)36)11-20-13-22(8-10-25(20)39-15-18-3-6-21(30)7-4-18)38-16-19-5-9-24-23(12-19)26(37-2)14-27(34-24)29(31,32)33/h3-14H,15-16H2,1-2H3,(H,35,36)/b17-11+
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| InChIKey |
HECBAXPEZRJUPQ-GZTJUZNOSA-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