General Information of the Compound
| Compound ID |
CP0464205
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| Compound Name |
2-methyl-5-[2-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperidin-1-yl]ethoxy]quinoline-7-carbonitrile
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| Structure |
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| Formula |
C27H28N4O3
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| Molecular Weight |
456.546
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(cc2n1)C#N
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| InChI |
InChI=1S/C27H28N4O3/c1-18-2-4-22-23(29-18)14-21(16-28)15-26(22)33-11-10-31-8-6-19(7-9-31)12-20-3-5-25-24(13-20)30-27(32)17-34-25/h2-5,13-15,19H,6-12,17H2,1H3,(H,30,32)
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| InChIKey |
LPJXWMSBQMJCDG-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