General Information of the Compound
| Compound ID |
CP0211385
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| Compound Name |
[4-[3-[benzyl(methyl)amino]propoxy]phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
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| Structure |
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| Formula |
C33H31NO4
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| Molecular Weight |
505.614
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C33H31NO4/c1-34(23-24-9-4-3-5-10-24)21-8-22-37-28-19-13-25(14-20-28)32(35)31-29-11-6-7-12-30(29)38-33(31)26-15-17-27(36-2)18-16-26/h3-7,9-20H,8,21-23H2,1-2H3
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| InChIKey |
AVLYOEWIQRRNRY-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