General Information of the Compound
| Compound ID |
CP0546024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[1,2-a][1,8]naphthyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H23N3
|
||||||||||||||||||
| Molecular Weight |
245.37
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFLMKLHRNAKIDD-CYBMUJFWSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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