General Information of the Compound
| Compound ID |
CP0858402
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| Compound Name |
2,2-Dimethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxypentanoic acid
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| Structure |
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| Formula |
C22H26O4
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| Molecular Weight |
354.446
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| Canonical SMILES |
COc1ccc(/C=C/c2ccc(OCCCC(C)(C)C(=O)O)cc2)cc1
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| InChI |
InChI=1S/C22H26O4/c1-22(2,21(23)24)15-4-16-26-20-13-9-18(10-14-20)6-5-17-7-11-19(25-3)12-8-17/h5-14H,4,15-16H2,1-3H3,(H,23,24)/b6-5+
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| InChIKey |
DLHSDMSJYICRBU-AATRIKPKSA-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