General Information of the Compound
| Compound ID |
CP0391884
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-5-hydroxy-6-phenylhexan-3-one
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| Structure |
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| Formula |
C19H20O4
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| Molecular Weight |
312.365
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| Canonical SMILES |
OC(CC(=O)CCc1ccc2OCOc2c1)Cc1ccccc1
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| InChI |
InChI=1S/C19H20O4/c20-16(12-17(21)10-14-4-2-1-3-5-14)8-6-15-7-9-18-19(11-15)23-13-22-18/h1-5,7,9,11,17,21H,6,8,10,12-13H2
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| InChIKey |
MBGYGXUYNIKSCX-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