General Information of the Compound
| Compound ID |
CP0466692
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| Compound Name |
3-ethoxy-3-[4-[(4-fluoronaphthalen-1-yl)methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C22H21FO4
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| Molecular Weight |
368.404
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| Canonical SMILES |
CCOC(CC(O)=O)c1ccc(OCc2ccc(F)c3ccccc23)cc1
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| InChI |
InChI=1S/C22H21FO4/c1-2-26-21(13-22(24)25)15-7-10-17(11-8-15)27-14-16-9-12-20(23)19-6-4-3-5-18(16)19/h3-12,21H,2,13-14H2,1H3,(H,24,25)
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| InChIKey |
KCFOERATBKMTCI-UHFFFAOYSA-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