General Information of the Compound
| Compound ID |
CP0131262
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| Compound Name |
4-{4-[2-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-ethoxy]-phenyl}-butyric acid
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| Structure |
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| Formula |
C28H29NO5
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| Molecular Weight |
459.542
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| Canonical SMILES |
CCCc1c(OCCOc2ccc(CCCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
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| InChI |
InChI=1S/C28H29NO5/c1-2-7-23-25(17-16-24-27(29-34-28(23)24)21-9-4-3-5-10-21)33-19-18-32-22-14-12-20(13-15-22)8-6-11-26(30)31/h3-5,9-10,12-17H,2,6-8,11,18-19H2,1H3,(H,30,31)
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| InChIKey |
XNGZNUAVYKUZJL-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