General Information of the Compound
| Compound ID |
CP0859310
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| Compound Name |
2,2-Dimethyl-5-{4-[(E)-2-(2-naphthyl)vinyl]phenoxy}pentanoic acid
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| Structure |
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| Formula |
C25H26O3
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| Molecular Weight |
374.48
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| Canonical SMILES |
CC(C)(CCCOc1ccc(/C=C/c2ccc3ccccc3c2)cc1)C(=O)O
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| InChI |
InChI=1S/C25H26O3/c1-25(2,24(26)27)16-5-17-28-23-14-11-19(12-15-23)8-9-20-10-13-21-6-3-4-7-22(21)18-20/h3-4,6-15,18H,5,16-17H2,1-2H3,(H,26,27)/b9-8+
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| InChIKey |
YWNGEBCHVKXEPQ-CMDGGOBGSA-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