General Information of the Compound
| Compound ID |
CP0408308
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| Compound Name |
(4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
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| Structure |
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| Formula |
C12H16N2
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| Molecular Weight |
188.274
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| Canonical SMILES |
C1CN2[C@H](CCc3ccccc23)CN1
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| InChI |
InChI=1S/C12H16N2/c1-2-4-12-10(3-1)5-6-11-9-13-7-8-14(11)12/h1-4,11,13H,5-9H2/t11-/m1/s1
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| InChIKey |
CHIINPDGHUONJZ-LLVKDONJSA-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