General Information of the Compound
| Compound ID |
CP0499694
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| Compound Name |
2-[3-[2-[2-(4-fluorophenyl)ethylcarbamoyl]-4-(propanoylamino)phenoxy]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C27H27FN2O6
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| Molecular Weight |
494.519
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| Canonical SMILES |
CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)NCCc1ccc(F)cc1
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| InChI |
InChI=1S/C27H27FN2O6/c1-3-25(31)30-20-9-11-22(36-24-14-18(15-26(32)33)6-10-23(24)35-2)21(16-20)27(34)29-13-12-17-4-7-19(28)8-5-17/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,29,34)(H,30,31)(H,32,33)
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| InChIKey |
BEDBLCQCPAROLS-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