General Information of the Compound
| Compound ID |
CP0389326
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| Compound Name |
2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3,4-oxadiazole
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| Structure |
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| Formula |
C13H13N3O2
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| Molecular Weight |
243.266
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| Canonical SMILES |
COc1ccc2[nH]cc(Cc3nnc(C)o3)c2c1
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| InChI |
InChI=1S/C13H13N3O2/c1-8-15-16-13(18-8)5-9-7-14-12-4-3-10(17-2)6-11(9)12/h3-4,6-7,14H,5H2,1-2H3
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| InChIKey |
JKHSLYJLXZHECY-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