General Information of the Compound
| Compound ID |
CP0433935
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| Compound Name |
6-[[4-[(2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
Cc1ccc2c(OCC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
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| InChI |
InChI=1S/C25H27N3O3/c1-17-5-7-20-21(26-17)3-2-4-23(20)30-15-18-9-11-28(12-10-18)14-19-6-8-24-22(13-19)27-25(29)16-31-24/h2-8,13,18H,9-12,14-16H2,1H3,(H,27,29)
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| InChIKey |
HKIASIHBZFIJOE-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