General Information of the Compound
| Compound ID |
CP0494513
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| Compound Name |
3-[11-(benzylamino)undecoxy]-5-pentylphenol
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| Structure |
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| Formula |
C29H45NO2
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| Molecular Weight |
439.684
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| Canonical SMILES |
CCCCCc1cc(O)cc(OCCCCCCCCCCCNCc2ccccc2)c1
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| InChI |
InChI=1S/C29H45NO2/c1-2-3-12-19-27-22-28(31)24-29(23-27)32-21-16-10-8-6-4-5-7-9-15-20-30-25-26-17-13-11-14-18-26/h11,13-14,17-18,22-24,30-31H,2-10,12,15-16,19-21,25H2,1H3
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| InChIKey |
ITMNFAXQPPELKG-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2