General Information of the Compound
| Compound ID |
CP0089197
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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-(3-hydroxypropyl)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 |
OCCCNC(=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/c28-18-8-17-27-26(32)12-7-2-1-6-11-22-23(25(31)19-24(22)30)16-15-21(29)14-13-20-9-4-3-5-10-20/h1,3-6,9-10,15-16,21-23,25,28-29,31H,2,7-8,11-14,17-19H2,(H,27,32)/b6-1-,16-15+/t21-,22+,23+,25+/m0/s1
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| InChIKey |
RXPXTMLAYCKJDG-IFIHJMSLSA-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: PT01998, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2