General Information of the Compound
| Compound ID |
CP0036288
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| Compound Name |
(E)-3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-acrylic acid
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| Structure |
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| Formula |
C28H27NO5
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| Molecular Weight |
457.526
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| Canonical SMILES |
CCCc1c(OCCCOc2ccc(\C=C\C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
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| InChI |
InChI=1S/C28H27NO5/c1-2-7-23-25(16-15-24-27(29-34-28(23)24)21-8-4-3-5-9-21)33-19-6-18-32-22-13-10-20(11-14-22)12-17-26(30)31/h3-5,8-17H,2,6-7,18-19H2,1H3,(H,30,31)/b17-12+
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| InChIKey |
QNBSPVOSPHERSL-SFQUDFHCSA-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