General Information of the Compound
| Compound ID |
CP0431295
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-5-hydroxydecan-3-one
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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 |
CCCCCC(O)CC(=O)CCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C17H24O4/c1-2-3-4-5-14(18)11-15(19)8-6-13-7-9-16-17(10-13)21-12-20-16/h7,9-10,14,18H,2-6,8,11-12H2,1H3
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| InChIKey |
NPZZCENHZLRAHT-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
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1