General Information of the Compound
| Compound ID |
CP0859210
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| Compound Name |
2,2-diphenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3(2H)-one
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| Structure |
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| Formula |
C19H18N2OS
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| Molecular Weight |
322.433
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| Canonical SMILES |
O=C1N2CCCCSC2=NC1(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C19H18N2OS/c22-17-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)20-18-21(17)13-7-8-14-23-18/h1-6,9-12H,7-8,13-14H2
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| InChIKey |
PSQJRNBEXJPMGW-UHFFFAOYSA-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