General Information of the Compound
| Compound ID |
CP0709769
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| Compound Name |
(Z)-2-(3-(3-Chlorobenzyloxy)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 |
C21H19ClN2O2S
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| Molecular Weight |
398.915
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| Canonical SMILES |
O=C1/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)N=C2SCCCCN12
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| InChI |
InChI=1S/C21H19ClN2O2S/c22-17-7-3-6-16(11-17)14-26-18-8-4-5-15(12-18)13-19-20(25)24-9-1-2-10-27-21(24)23-19/h3-8,11-13H,1-2,9-10,14H2/b19-13-
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| InChIKey |
DFGYYJBCGOVQHP-UYRXBGFRSA-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