General Information of the Compound
| Compound ID |
CP0176689
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| Compound Name |
[4-(benzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
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| Structure |
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| Formula |
C29H23NO3
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| Molecular Weight |
433.507
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCc2ccccc2)cc1
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| InChI |
InChI=1S/C29H23NO3/c1-32-24-17-13-22(14-18-24)29-27(25-9-5-6-10-26(25)33-29)28(31)21-11-15-23(16-12-21)30-19-20-7-3-2-4-8-20/h2-18,30H,19H2,1H3
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| InChIKey |
QKPABMYSOCFSNU-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