General Information of the Compound
| Compound ID |
CP0447722
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| Compound Name |
3-(4-(Phenoxymethyl)-2-{[(1-phenylpropyl)amino]carbonyl}phenyl)propanoic acid
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| Structure |
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| Formula |
C26H27NO4
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| Molecular Weight |
417.505
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| Canonical SMILES |
CCC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccccc1
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| InChI |
InChI=1S/C26H27NO4/c1-2-24(21-9-5-3-6-10-21)27-26(30)23-17-19(13-14-20(23)15-16-25(28)29)18-31-22-11-7-4-8-12-22/h3-14,17,24H,2,15-16,18H2,1H3,(H,27,30)(H,28,29)
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| InChIKey |
BUWAGMJUQPCWLH-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