General Information of the Compound
| Compound ID |
CP0394387
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| Compound Name |
N-[6-[3-(4-methoxybenzoyl)-1-(oxan-4-ylmethyl)indol-7-yl]oxyhexyl]acetamide
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| Structure |
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| Formula |
C30H38N2O5
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| Molecular Weight |
506.643
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2c(OCCCCCCNC(C)=O)cccc12
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| InChI |
InChI=1S/C30H38N2O5/c1-22(33)31-16-5-3-4-6-17-37-28-9-7-8-26-27(30(34)24-10-12-25(35-2)13-11-24)21-32(29(26)28)20-23-14-18-36-19-15-23/h7-13,21,23H,3-6,14-20H2,1-2H3,(H,31,33)
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| InChIKey |
LPGRJOFVSNBPMQ-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