General Information of the Compound
| Compound ID |
CP0376979
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| Compound Name |
7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
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| Structure |
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| Formula |
C19H22N2
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| Molecular Weight |
278.399
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| Canonical SMILES |
C(c1ccccc1)c1cccc2N3CCNCC3CCc12
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| InChI |
InChI=1S/C19H22N2/c1-2-5-15(6-3-1)13-16-7-4-8-19-18(16)10-9-17-14-20-11-12-21(17)19/h1-8,17,20H,9-14H2
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| InChIKey |
IAJGHVPYWZBQQT-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C