General Information of the Compound
| Compound ID |
CP0511503
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| Compound Name |
2,2-dimethyl-5-[4-[(E)-3-phenylprop-2-enoyl]phenoxy]pentanoic acid
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| Structure |
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| Formula |
C22H24O4
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| Molecular Weight |
352.43
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| Canonical SMILES |
CC(C)(CCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C22H24O4/c1-22(2,21(24)25)15-6-16-26-19-12-10-18(11-13-19)20(23)14-9-17-7-4-3-5-8-17/h3-5,7-14H,6,15-16H2,1-2H3,(H,24,25)/b14-9+
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| InChIKey |
VRODXMLUAWDDNZ-NTEUORMPSA-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