General Information of the Compound
| Compound ID |
CP0134008
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| Compound Name |
[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
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| Structure |
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| Formula |
C32H29NO4
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| Molecular Weight |
491.587
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN(C)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C32H29NO4/c1-33(22-23-8-4-3-5-9-23)20-21-36-27-18-12-24(13-19-27)31(34)30-28-10-6-7-11-29(28)37-32(30)25-14-16-26(35-2)17-15-25/h3-19H,20-22H2,1-2H3
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| InChIKey |
KCWJROIGSAMCNO-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