General Information of the Compound
| Compound ID |
CP0460575
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| Compound Name |
2-[4-(2-pentylphenyl)phenoxy]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C26H28O3
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| Molecular Weight |
388.507
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| Canonical SMILES |
CCCCCc1ccccc1-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1
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| InChI |
InChI=1S/C26H28O3/c1-2-3-5-12-21-13-8-9-14-24(21)22-15-17-23(18-16-22)29-25(26(27)28)19-20-10-6-4-7-11-20/h4,6-11,13-18,25H,2-3,5,12,19H2,1H3,(H,27,28)
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| InChIKey |
YYSHTCPHQZNNOT-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