General Information of the Compound
| Compound ID |
CP0396112
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| Compound Name |
(11aR)-8-methoxy-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
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| Structure |
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| Formula |
C13H16N2O2
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| Molecular Weight |
232.283
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| Canonical SMILES |
COc1ccc2C[C@@H]3CNCCN3C(=O)c2c1
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| InChI |
InChI=1S/C13H16N2O2/c1-17-11-3-2-9-6-10-8-14-4-5-15(10)13(16)12(9)7-11/h2-3,7,10,14H,4-6,8H2,1H3/t10-/m1/s1
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| InChIKey |
JXMPAYPDNCDBDU-SNVBAGLBSA-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