General Information of the Compound
| Compound ID |
CP0900469
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| Compound Name |
(Z)-2-(3-(Benzyloxy)benzylidene)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3(2H)-one
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| Structure |
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| Formula |
C21H20N2O2S
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| Molecular Weight |
364.47
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| Canonical SMILES |
O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCCN12
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| InChI |
InChI=1S/C21H20N2O2S/c24-20-19(22-21-23(20)11-4-5-12-26-21)14-17-9-6-10-18(13-17)25-15-16-7-2-1-3-8-16/h1-3,6-10,13-14H,4-5,11-12,15H2/b19-14-
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| InChIKey |
TYPYKTGWUCNEDE-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