General Information of the Compound
| Compound ID |
CP0400641
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| Compound Name |
4-{2-(2-Carboxy-ethyl)-3-[6-(4,4''-dimethoxy-[1.1':3',1'']terphenyl-5'-yloxy)-hexyl]-phenoxy}-butyric acid
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| Structure |
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| Formula |
C39H44O8
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| Molecular Weight |
640.773
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(OCCCCCCc2cccc(OCCCC(O)=O)c2CCC(O)=O)cc(c1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C39H44O8/c1-44-33-17-13-28(14-18-33)31-25-32(29-15-19-34(45-2)20-16-29)27-35(26-31)46-23-6-4-3-5-9-30-10-7-11-37(36(30)21-22-39(42)43)47-24-8-12-38(40)41/h7,10-11,13-20,25-27H,3-6,8-9,12,21-24H2,1-2H3,(H,40,41)(H,42,43)
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| InChIKey |
UAUGYZPHKFIFDW-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