General Information of the Compound
| Compound ID |
CP0458159
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| Compound Name |
7-phenoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
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| Structure |
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| Formula |
C18H20N2O
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| Molecular Weight |
280.371
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| Canonical SMILES |
C1CN2C(CCc3c(Oc4ccccc4)cccc23)CN1
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| InChI |
InChI=1S/C18H20N2O/c1-2-5-15(6-3-1)21-18-8-4-7-17-16(18)10-9-14-13-19-11-12-20(14)17/h1-8,14,19H,9-13H2
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| InChIKey |
BAAMJYJYKYXSIF-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C