General Information of the Compound
| Compound ID |
CP0400640
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| Compound Name |
4-{2-(2-Carboxyethyl)-3-[6-(3,5-dipyrimidin-5-ylphenoxy)hexyl]-phenoxy}butyric Acid
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| Structure |
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| Formula |
C35H38N2O6
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| Molecular Weight |
582.697
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| Canonical SMILES |
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2cncnc2)-c2ccccc2)c1CCC(O)=O
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| InChI |
InChI=1S/C35H38N2O6/c38-34(39)15-9-19-43-33-14-8-13-27(32(33)16-17-35(40)41)12-4-1-2-7-18-42-31-21-28(26-10-5-3-6-11-26)20-29(22-31)30-23-36-25-37-24-30/h3,5-6,8,10-11,13-14,20-25H,1-2,4,7,9,12,15-19H2,(H,38,39)(H,40,41)
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| InChIKey |
GRTVVRUMDLLTQV-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