General Information of the Compound
| Compound ID |
CP0461763
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| Compound Name |
(3E)-3-[(4-tert-butylphenyl)methylidene]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-one
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| Structure |
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| Formula |
C24H27NO3
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| Molecular Weight |
377.484
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| Canonical SMILES |
CC(C)(C)c1ccc(\C=C2/CCCN(C2=O)c2ccc3OCCOc3c2)cc1
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| InChI |
InChI=1S/C24H27NO3/c1-24(2,3)19-8-6-17(7-9-19)15-18-5-4-12-25(23(18)26)20-10-11-21-22(16-20)28-14-13-27-21/h6-11,15-16H,4-5,12-14H2,1-3H3/b18-15+
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| InChIKey |
QYVUWSQNQVOUOT-OBGWFSINSA-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1