General Information of the Compound
| Compound ID |
CP0511803
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| Compound Name |
3-heptyl-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one
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| Formula |
C20H27N3O3
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| Molecular Weight |
357.454
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| Canonical SMILES |
CCCCCCCn1nc(CCc2c[nH]c3ccc(OC)cc23)oc1=O
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| InChI |
InChI=1S/C20H27N3O3/c1-3-4-5-6-7-12-23-20(24)26-19(22-23)11-8-15-14-21-18-10-9-16(25-2)13-17(15)18/h9-10,13-14,21H,3-8,11-12H2,1-2H3
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| InChIKey |
BXNOYMDUUOYKFD-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