General Information of the Compound
| Compound ID |
CP0487099
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| Compound Name |
2-[4-Methoxy-3-(4-phenoxy-benzylcarbamoyl)-benzyl]-butyric acid
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| Structure |
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| Formula |
C26H27NO5
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| Molecular Weight |
433.504
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| Canonical SMILES |
CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(Oc2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C26H27NO5/c1-3-20(26(29)30)15-19-11-14-24(31-2)23(16-19)25(28)27-17-18-9-12-22(13-10-18)32-21-7-5-4-6-8-21/h4-14,16,20H,3,15,17H2,1-2H3,(H,27,28)(H,29,30)
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| InChIKey |
VYRQBJZRNPNASW-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