General Information of the Compound
| Compound ID |
CP0429382
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| Compound Name |
(2Z)-2-[[3-[7-(4-chlorophenoxy)heptoxy]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 |
C26H29ClN2O3S
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| Molecular Weight |
485.049
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| Canonical SMILES |
Clc1ccc(OCCCCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1
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| InChI |
InChI=1S/C26H29ClN2O3S/c27-21-10-12-22(13-11-21)31-15-4-2-1-3-5-16-32-23-9-6-8-20(18-23)19-24-25(30)29-14-7-17-33-26(29)28-24/h6,8-13,18-19H,1-5,7,14-17H2/b24-19-
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| InChIKey |
DEUWCHLOHKQMJS-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