General Information of the Compound
| Compound ID |
CP0495090
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| Compound Name |
4-(2,3-dihydro-1,4-benzoxathiin-5-yl)-N-propylbutanamide
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| Structure |
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| Formula |
C15H21NO2S
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| Molecular Weight |
279.405
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| Canonical SMILES |
CCCNC(=O)CCCc1cccc2OCCSc12
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| InChI |
InChI=1S/C15H21NO2S/c1-2-9-16-14(17)8-4-6-12-5-3-7-13-15(12)19-11-10-18-13/h3,5,7H,2,4,6,8-11H2,1H3,(H,16,17)
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| InChIKey |
GAGHAWGRMAYWML-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