General Information of the Compound
| Compound ID |
CP0363236
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| Compound Name |
[4-[5-[benzyl(methyl)amino]pentoxy]phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
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| Structure |
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| Formula |
C35H35NO4
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| Molecular Weight |
533.668
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCCCCN(C)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C35H35NO4/c1-36(25-26-11-5-3-6-12-26)23-9-4-10-24-39-30-21-15-27(16-22-30)34(37)33-31-13-7-8-14-32(31)40-35(33)28-17-19-29(38-2)20-18-28/h3,5-8,11-22H,4,9-10,23-25H2,1-2H3
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| InChIKey |
DKWADMRWUAEMEK-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