General Information of the Compound
| Compound ID |
CP0481207
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| Compound Name |
3-[4-(4-acetyl-3-hydroxy-2-methylphenoxy)butoxy]-2-methylbenzoic acid
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| Structure |
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| Formula |
C21H24O6
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| Molecular Weight |
372.417
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| Canonical SMILES |
CC(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
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| InChI |
InChI=1S/C21H24O6/c1-13-16(21(24)25)7-6-8-18(13)26-11-4-5-12-27-19-10-9-17(15(3)22)20(23)14(19)2/h6-10,23H,4-5,11-12H2,1-3H3,(H,24,25)
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| InChIKey |
ZSCQZDLGNFDBQE-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