General Information of the Compound
| Compound ID |
CP0395795
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| Compound Name |
(11aR)-10-methoxy-9-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
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| Structure |
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| Formula |
C14H18N2O2
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| Molecular Weight |
246.31
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| Canonical SMILES |
COc1c(C)ccc2C(=O)N3CCNC[C@H]3Cc12
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| InChI |
InChI=1S/C14H18N2O2/c1-9-3-4-11-12(13(9)18-2)7-10-8-15-5-6-16(10)14(11)17/h3-4,10,15H,5-8H2,1-2H3/t10-/m1/s1
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| InChIKey |
ZYDTYBMBYADEAB-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