General Information of the Compound
| Compound ID |
CP0262329
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| Compound Name |
4-[[4-[2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]anilino]methyl]benzonitrile
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| Structure |
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| Formula |
C30H22N2O3
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| Molecular Weight |
458.517
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCc2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C30H22N2O3/c1-34-25-16-12-23(13-17-25)30-28(26-4-2-3-5-27(26)35-30)29(33)22-10-14-24(15-11-22)32-19-21-8-6-20(18-31)7-9-21/h2-17,32H,19H2,1H3
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| InChIKey |
WZSKNOTUTMVZRO-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