General Information of the Compound
| Compound ID |
CP0412747
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| Compound Name |
11-[3-(5-hydroxy-1,1-dimethylpentyl)phenoxy]-undeca-5,8-dienoic acid [R-(1-hydroxypropan-2-yl)]amide
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| Structure |
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| Formula |
C27H43NO4
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| Molecular Weight |
445.644
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| Canonical SMILES |
C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCO
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| InChI |
InChI=1S/C27H43NO4/c1-23(22-30)28-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-29/h4,6-7,9,14-16,21,23,29-30H,5,8,10-13,17-20,22H2,1-3H3,(H,28,31)/b6-4-,9-7-/t23-/m1/s1
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| InChIKey |
YNNMYYFUBWIVHE-YUZOCMECSA-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