General Information of the Compound
| Compound ID |
CP0859466
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| Compound Name |
(Z)-3-((3-Oxo-6,7-dihydro-3H-imidazo[2,1-b][1,3]thiazin-2(5H)-ylidene)methyl)phenyl 4-chloro-benzoate
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| Structure |
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| Formula |
C20H15ClN2O3S
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| Molecular Weight |
398.871
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| Canonical SMILES |
O=C(Oc1cccc(/C=C2\N=C3SCCCN3C2=O)c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H15ClN2O3S/c21-15-7-5-14(6-8-15)19(25)26-16-4-1-3-13(11-16)12-17-18(24)23-9-2-10-27-20(23)22-17/h1,3-8,11-12H,2,9-10H2/b17-12-
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| InChIKey |
OJQWPKHJTWYDHA-ATVHPVEESA-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