General Information of the Compound
| Compound ID |
CP0866767
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| Compound Name |
(Z)-2-(1-phenylethylidene)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3(2H)-one
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| Structure |
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| Formula |
C15H16N2OS
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| Molecular Weight |
272.373
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| Canonical SMILES |
C/C(=C1/N=C2SCCCCN2C1=O)c1ccccc1
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| InChI |
InChI=1S/C15H16N2OS/c1-11(12-7-3-2-4-8-12)13-14(18)17-9-5-6-10-19-15(17)16-13/h2-4,7-8H,5-6,9-10H2,1H3/b13-11-
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| InChIKey |
UYWAGFKSGKWYLC-QBFSEMIESA-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