General Information of the Compound
| Compound ID |
CP0554719
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| Compound Name |
(E)-3-[2-[(4-fluorophenyl)methoxy]-5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C28H21F4NO5
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| Molecular Weight |
527.47
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| Canonical SMILES |
COc1cc(nc2ccc(COc3ccc(OCc4ccc(F)cc4)c(\C=C\C(O)=O)c3)cc12)C(F)(F)F
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| InChI |
InChI=1S/C28H21F4NO5/c1-36-25-14-26(28(30,31)32)33-23-9-4-18(12-22(23)25)16-37-21-8-10-24(19(13-21)5-11-27(34)35)38-15-17-2-6-20(29)7-3-17/h2-14H,15-16H2,1H3,(H,34,35)/b11-5+
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| InChIKey |
UNHIUMCBLSQLBD-VZUCSPMQSA-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