General Information of the Compound
| Compound ID |
CP0332841
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| Compound Name |
6-[[1-[2-(7-chloro-2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-8-fluoro-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C26H27ClFN3O3
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| Molecular Weight |
483.971
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1
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| InChI |
InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)13-19(27)14-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-21(28)26-23(12-18)30-25(32)15-34-26/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)
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| InChIKey |
VNCBCPIVWAMDIB-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor