General Information of the Compound
| Compound ID |
CP0147320
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| Compound Name |
(Z)-N-(2-hydroxyethyl)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enamide
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| Structure |
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| Formula |
C25H35NO5
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| Molecular Weight |
429.557
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| Canonical SMILES |
OCCNC(=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/C25H35NO5/c27-17-16-26-25(31)11-7-2-1-6-10-21-22(24(30)18-23(21)29)15-14-20(28)13-12-19-8-4-3-5-9-19/h1,3-6,8-9,14-15,20-22,24,27-28,30H,2,7,10-13,16-18H2,(H,26,31)/b6-1-,15-14+/t20-,21-,22-,24-/m1/s1
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| InChIKey |
UNRIGVDTQLYALV-KDVHFMHWSA-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