General Information of the Compound
| Compound ID |
CP0398233
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| Compound Name |
5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione
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| Structure |
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| Formula |
C13H13N3O2S
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| Molecular Weight |
275.333
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| Canonical SMILES |
COc1ccc2[nH]cc(CCc3n[nH]c(=S)o3)c2c1
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| InChI |
InChI=1S/C13H13N3O2S/c1-17-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(19)18-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,19)
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| InChIKey |
PVESIZVQVYYRLJ-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B