General Information of the Compound
| Compound ID |
CP0507589
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| Compound Name |
(4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
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| Formula |
C15H22N2
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| Molecular Weight |
230.355
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| Canonical SMILES |
CCCc1cccc2N3CCNC[C@H]3CCc12
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| InChI |
InChI=1S/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3/t13-/m1/s1
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| InChIKey |
GJVPUHJMJVJTOE-CYBMUJFWSA-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