General Information of the Compound
| Compound ID |
CP0405460
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| Compound Name |
5-[3-(4-methoxybenzoyl)-1-(oxan-4-ylmethyl)indol-7-yl]oxypentanoic acid
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| Structure |
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| Formula |
C27H31NO6
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| Molecular Weight |
465.546
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(OCCCCC(O)=O)cccc12
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| InChI |
InChI=1S/C27H31NO6/c1-32-21-10-8-20(9-11-21)27(31)23-18-28(17-19-12-15-33-16-13-19)26-22(23)5-4-6-24(26)34-14-3-2-7-25(29)30/h4-6,8-11,18-19H,2-3,7,12-17H2,1H3,(H,29,30)
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| InChIKey |
WGALBHNNJFJVCA-UHFFFAOYSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2