General Information of the Compound
| Compound ID |
CP0461737
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| Compound Name |
6-[[1-[2-(8-chloro-2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C26H28ClN3O3
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| Molecular Weight |
465.981
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)ccc(Cl)c2n1
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| InChI |
InChI=1S/C26H28ClN3O3/c1-17-2-4-20-23(7-5-21(27)26(20)28-17)32-13-12-30-10-8-18(9-11-30)14-19-3-6-24-22(15-19)29-25(31)16-33-24/h2-7,15,18H,8-14,16H2,1H3,(H,29,31)
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| InChIKey |
HXMSGYRSZQMYBZ-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