General Information of the Compound
| Compound ID |
CP0177439
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| Compound Name |
4-ethyl-5-fluoro-6-((4-(2-(2-methylquinolin-5-yloxy)ethyl)piperazin-1-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C27H31FN4O3
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| Molecular Weight |
478.568
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| Canonical SMILES |
CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)c(F)c12
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| InChI |
InChI=1S/C27H31FN4O3/c1-3-32-25(33)18-35-24-10-8-20(26(28)27(24)32)17-31-13-11-30(12-14-31)15-16-34-23-6-4-5-22-21(23)9-7-19(2)29-22/h4-10H,3,11-18H2,1-2H3
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| InChIKey |
IVTUNYRYCDBVQH-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