General Information of the Compound
| Compound ID |
CP0220876
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| Compound Name |
2-Methyl-2-{3-[4-(3-phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-butoxy]-phenoxy}-propionic acid
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| Structure |
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| Formula |
C30H33NO6
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| Molecular Weight |
503.595
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| Canonical SMILES |
CCCc1c(OCCCCOc2cccc(OC(C)(C)C(O)=O)c2)ccc2c(noc12)-c1ccccc1
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| InChI |
InChI=1S/C30H33NO6/c1-4-11-24-26(17-16-25-27(31-37-28(24)25)21-12-6-5-7-13-21)35-19-9-8-18-34-22-14-10-15-23(20-22)36-30(2,3)29(32)33/h5-7,10,12-17,20H,4,8-9,11,18-19H2,1-3H3,(H,32,33)
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| InChIKey |
CNAGWDCLNROSMI-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