General Information of the Compound
| Compound ID |
CP0426638
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| Compound Name |
1-(4-tert-butylphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]urea
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| Structure |
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| Formula |
C21H32N2O
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| Molecular Weight |
328.5
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\CNC(=O)Nc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C21H32N2O/c1-16(2)8-7-9-17(3)14-15-22-20(24)23-19-12-10-18(11-13-19)21(4,5)6/h8,10-14H,7,9,15H2,1-6H3,(H2,22,23,24)/b17-14+
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| InChIKey |
JBOLWOSSLHXMCO-SAPNQHFASA-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: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1