General Information of the Compound
| Compound ID |
CP0116592
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| Compound Name |
(Z)-N-(2-hydroxyethyl)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-(4-iodophenyl)pent-1-enyl]-5-oxocyclopentyl]hept-5-enamide
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| Structure |
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| Formula |
C25H34INO5
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| Molecular Weight |
555.453
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| Canonical SMILES |
OCCNC(=O)CCC\C=C/C[C@@H]1[C@@H](\C=C\[C@@H](O)CCc2ccc(I)cc2)[C@H](O)CC1=O
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| InChI |
InChI=1S/C25H34INO5/c26-19-10-7-18(8-11-19)9-12-20(29)13-14-22-21(23(30)17-24(22)31)5-3-1-2-4-6-25(32)27-15-16-28/h1,3,7-8,10-11,13-14,20-22,24,28-29,31H,2,4-6,9,12,15-17H2,(H,27,32)/b3-1-,14-13+/t20-,21+,22+,24+/m0/s1
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| InChIKey |
TZXZORUWGBHWJS-FSQOZOHOSA-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