General Information of the Compound
| Compound ID |
CP0528608
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| Compound Name |
11-(3-hydroxy-5-pentyl-phenoxy)-undecanoic acid (3-methoxy-4-hydroxy-phenyl)-amide
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| Structure |
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| Formula |
C30H45NO5
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| Molecular Weight |
499.692
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| Canonical SMILES |
CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCc2ccc(OC)c(O)c2)c1
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| InChI |
InChI=1S/C30H45NO5/c1-3-4-11-14-24-19-26(32)22-27(20-24)36-18-13-10-8-6-5-7-9-12-15-30(34)31-23-25-16-17-29(35-2)28(33)21-25/h16-17,19-22,32-33H,3-15,18,23H2,1-2H3,(H,31,34)
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| InChIKey |
BBTJHAUUGXYTQE-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