General Information of the Compound
| Compound ID |
CP0471723
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| Compound Name |
(2Z)-2-[[3-[8-(4-chlorophenoxy)octoxy]phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
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| Structure |
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| Formula |
C27H31ClN2O3S
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| Molecular Weight |
499.076
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| Canonical SMILES |
Clc1ccc(OCCCCCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1
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| InChI |
InChI=1S/C27H31ClN2O3S/c28-22-11-13-23(14-12-22)32-16-5-3-1-2-4-6-17-33-24-10-7-9-21(19-24)20-25-26(31)30-15-8-18-34-27(30)29-25/h7,9-14,19-20H,1-6,8,15-18H2/b25-20-
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| InChIKey |
QYUAAMFRQVHJMA-QQTULTPQSA-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