General Information of the Compound
| Compound ID |
CP0396304
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| Compound Name |
(4Z)-4-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazol-5-one
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| Structure |
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| Formula |
C24H18ClFN2O2S
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| Molecular Weight |
452.938
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| Canonical SMILES |
Fc1ccc(CSC2=N\C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)N2)cc1
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| InChI |
InChI=1S/C24H18ClFN2O2S/c25-19-8-4-16(5-9-19)14-30-21-3-1-2-18(12-21)13-22-23(29)28-24(27-22)31-15-17-6-10-20(26)11-7-17/h1-13H,14-15H2,(H,27,28,29)/b22-13-
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| InChIKey |
KFYBSMYKWRRXHF-XKZIYDEJSA-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
Protein ID: PT05453, G-protein coupled receptor 55
Protein ID: PT06110, N-arachidonyl glycine receptor