General Information of the Compound
| Compound ID |
CP0379905
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| Compound Name |
8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]-N-prop-2-enyloctanamide
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| Structure |
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| Formula |
C26H43NO3
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| Molecular Weight |
417.634
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCC=C)c1
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| InChI |
InChI=1S/C26H43NO3/c1-5-7-8-13-16-26(3,4)22-19-23(28)21-24(20-22)30-18-14-11-9-10-12-15-25(29)27-17-6-2/h6,19-21,28H,2,5,7-18H2,1,3-4H3,(H,27,29)
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| InChIKey |
IDSPJWVYIKNBSP-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
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000035 | NIH 3T3 | Mus musculus (Mouse) | 1 |
| 1 |
IC50 = 188000 nM
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TI
LI
LO
TS
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