General Information of the Compound
| Compound ID |
CP0511501
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| Compound Name |
5-(2-methoxy-4-prop-2-enylphenoxy)-2,2-dimethylpentanoic acid
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| Structure |
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| Formula |
C17H24O4
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| Molecular Weight |
292.375
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| Canonical SMILES |
COc1cc(CC=C)ccc1OCCCC(C)(C)C(O)=O
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| InChI |
InChI=1S/C17H24O4/c1-5-7-13-8-9-14(15(12-13)20-4)21-11-6-10-17(2,3)16(18)19/h5,8-9,12H,1,6-7,10-11H2,2-4H3,(H,18,19)
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| InChIKey |
NDTUOCYUAMWQHS-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