General Information of the Compound
| Compound ID |
CP0401718
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| Compound Name |
2-[3-(4-methoxybenzoyl)-1-(oxan-4-ylmethyl)indol-5-yl]oxyacetic acid
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| Structure |
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| Formula |
C24H25NO6
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| Molecular Weight |
423.465
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2ccc(OCC(O)=O)cc12
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| InChI |
InChI=1S/C24H25NO6/c1-29-18-4-2-17(3-5-18)24(28)21-14-25(13-16-8-10-30-11-9-16)22-7-6-19(12-20(21)22)31-15-23(26)27/h2-7,12,14,16H,8-11,13,15H2,1H3,(H,26,27)
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| InChIKey |
NQIWYFWYFDTCAU-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