General Information of the Compound
Compound ID |
CP0089105
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Compound Name |
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]-N-[(2S)-1-hydroxypropan-2-yl]hept-5-enamide
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Structure |
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Formula |
C26H37NO5
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Molecular Weight |
443.584
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Canonical SMILES |
C[C@@H](CO)NC(=O)CCC\C=C/C[C@@H]1[C@@H](\C=C\[C@@H](O)CCc2ccccc2)[C@H](O)CC1=O
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InChI |
InChI=1S/C26H37NO5/c1-19(18-28)27-26(32)12-8-3-2-7-11-22-23(25(31)17-24(22)30)16-15-21(29)14-13-20-9-5-4-6-10-20/h2,4-7,9-10,15-16,19,21-23,25,28-29,31H,3,8,11-14,17-18H2,1H3,(H,27,32)/b7-2-,16-15+/t19-,21-,22+,23+,25+/m0/s1
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InChIKey |
QTGHHNITLPXNNJ-RBVJCRBRSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT01998, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2