General Information of the Compound
| Compound ID |
CP0433940
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| Compound Name |
6-[[1-[3-(2-methylquinolin-5-yl)oxypropyl]azetidin-3-yl]methoxy]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C25H27N3O4
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| Molecular Weight |
433.508
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| Canonical SMILES |
Cc1ccc2c(OCCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1
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| InChI |
InChI=1S/C25H27N3O4/c1-17-6-8-20-21(26-17)4-2-5-23(20)30-11-3-10-28-13-18(14-28)15-31-19-7-9-24-22(12-19)27-25(29)16-32-24/h2,4-9,12,18H,3,10-11,13-16H2,1H3,(H,27,29)
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| InChIKey |
FLDHGZLVJPCEQH-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D