General Information of the Compound
| Compound ID |
CP0859208
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| Compound Name |
(Z)-ethyl 2-(3-((3-oxo-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-2(3H)-ylidene)methyl)phenoxy)acetate
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| Structure |
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| Formula |
C18H20N2O4S
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| Molecular Weight |
360.435
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| Canonical SMILES |
CCOC(=O)COc1cccc(/C=C2\N=C3SCCCCN3C2=O)c1
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| InChI |
InChI=1S/C18H20N2O4S/c1-2-23-16(21)12-24-14-7-5-6-13(10-14)11-15-17(22)20-8-3-4-9-25-18(20)19-15/h5-7,10-11H,2-4,8-9,12H2,1H3/b15-11-
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| InChIKey |
PHXLKIQQLZJXSP-PTNGSMBKSA-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