General Information of the Compound
| Compound ID |
CP0262330
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| Compound Name |
[4-[bis[(3,5-difluorophenyl)methyl]amino]phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
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| Structure |
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| Formula |
C36H25F4NO3
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| Molecular Weight |
595.592
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(Cc1cc(F)cc(F)c1)Cc1cc(F)cc(F)c1
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| InChI |
InChI=1S/C36H25F4NO3/c1-43-31-12-8-25(9-13-31)36-34(32-4-2-3-5-33(32)44-36)35(42)24-6-10-30(11-7-24)41(20-22-14-26(37)18-27(38)15-22)21-23-16-28(39)19-29(40)17-23/h2-19H,20-21H2,1H3
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| InChIKey |
WCGAXZMSFZPYAZ-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