General Information of the Compound
| Compound ID |
CP0429550
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| Compound Name |
(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methyl-18-phenoxyoctadeca-5,8,11,14-tetraenamide
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| Structure |
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| Formula |
C28H41NO3
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| Molecular Weight |
439.64
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| Canonical SMILES |
C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/[C@@H](C)\C=C/CCCOc1ccccc1
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| InChI |
InChI=1S/C28H41NO3/c1-25(19-13-11-17-23-32-27-20-14-10-15-21-27)18-12-8-6-4-3-5-7-9-16-22-28(31)29-26(2)24-30/h4-7,10,12-15,18-21,25-26,30H,3,8-9,11,16-17,22-24H2,1-2H3,(H,29,31)/b6-4-,7-5-,18-12-,19-13-/t25-,26-/m1/s1
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| InChIKey |
QJWJOWYBUFPMFV-WFEQAXAMSA-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: PT00834, Cannabinoid receptor 2
Protein ID: PT01998, Cannabinoid receptor 2