General Information of the Compound
| Compound ID |
CP0422156
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| Compound Name |
5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(3-phenylpropyl)-1,3,4-oxadiazol-2-one
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
COc1ccc2[nH]cc(CCc3nn(CCCc4ccccc4)c(=O)o3)c2c1
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| InChI |
InChI=1S/C22H23N3O3/c1-27-18-10-11-20-19(14-18)17(15-23-20)9-12-21-24-25(22(26)28-21)13-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-11,14-15,23H,5,8-9,12-13H2,1H3
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| InChIKey |
PQQHGZFATJNZST-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