General Information of the Compound
| Compound ID |
CP0445929
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| Compound Name |
(2Z)-2-[[3-[6-(2,6-dimethylphenoxy)hexoxy]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 |
C27H32N2O3S
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| Molecular Weight |
464.631
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| Canonical SMILES |
Cc1cccc(C)c1OCCCCCCOc1cccc(\C=C2/N=C3SCCCN3C2=O)c1
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| InChI |
InChI=1S/C27H32N2O3S/c1-20-10-7-11-21(2)25(20)32-16-6-4-3-5-15-31-23-13-8-12-22(18-23)19-24-26(30)29-14-9-17-33-27(29)28-24/h7-8,10-13,18-19H,3-6,9,14-17H2,1-2H3/b24-19-
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| InChIKey |
CCXPWLGMUNRHCH-CLCOLTQESA-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