General Information of the Compound
| Compound ID |
CP0446725
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| Compound Name |
7-(thiophen-2-ylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
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| Structure |
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| Formula |
C17H20N2S
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| Molecular Weight |
284.428
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| Canonical SMILES |
C(c1cccs1)c1cccc2N3CCNCC3CCc12
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| InChI |
InChI=1S/C17H20N2S/c1-3-13(11-15-4-2-10-20-15)16-7-6-14-12-18-8-9-19(14)17(16)5-1/h1-5,10,14,18H,6-9,11-12H2
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| InChIKey |
NNRMMTGPLBXKIO-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