General Information of the Compound
| Compound ID |
CP0462370
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| Compound Name |
2-[4-(3-hydroxypropyl)phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C13H18O4
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| Molecular Weight |
238.283
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| Canonical SMILES |
CC(C)(Oc1ccc(CCCO)cc1)C(O)=O
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| InChI |
InChI=1S/C13H18O4/c1-13(2,12(15)16)17-11-7-5-10(6-8-11)4-3-9-14/h5-8,14H,3-4,9H2,1-2H3,(H,15,16)
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| InChIKey |
GNZJOMSLCZXFLM-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