General Information of the Compound
| Compound ID |
CP0176623
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| Compound Name |
[4-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
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| Structure |
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| Formula |
C31H22FN3O4
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| Molecular Weight |
519.532
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)-n1cc(COc2cccc(F)c2)nn1
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| InChI |
InChI=1S/C31H22FN3O4/c1-37-25-15-11-21(12-16-25)31-29(27-7-2-3-8-28(27)39-31)30(36)20-9-13-24(14-10-20)35-18-23(33-34-35)19-38-26-6-4-5-22(32)17-26/h2-18H,19H2,1H3
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| InChIKey |
BIKSUXHSIWAHJM-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