General Information of the Compound
| Compound ID |
CP0893067
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| Compound Name |
(Z)-3-((3-oxo-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-2(3H)-ylidene)methyl)phenyl 4-methylbenzoate
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| Structure |
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| Formula |
C22H20N2O3S
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| Molecular Weight |
392.48
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| Canonical SMILES |
Cc1ccc(C(=O)Oc2cccc(/C=C3\N=C4SCCCCN4C3=O)c2)cc1
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| InChI |
InChI=1S/C22H20N2O3S/c1-15-7-9-17(10-8-15)21(26)27-18-6-4-5-16(13-18)14-19-20(25)24-11-2-3-12-28-22(24)23-19/h4-10,13-14H,2-3,11-12H2,1H3/b19-14-
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| InChIKey |
OKBNPTSVHSNLFJ-RGEXLXHISA-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