General Information of the Compound
| Compound ID |
CP0482498
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-amino-8-(2-morpholin-4-ylethoxy)-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraen-4-yl]-pyridin-4-ylmethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N4O3S
|
||||||||||||||||||
| Molecular Weight |
426.542
|
||||||||||||||||||
| Canonical SMILES |
Nc1c(sc2nc(OCCN3CCOCC3)c3CCCc3c12)C(O)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N4O3S/c23-18-17-15-2-1-3-16(15)21(29-13-10-26-8-11-28-12-9-26)25-22(17)30-20(18)19(27)14-4-6-24-7-5-14/h4-7,19,27H,1-3,8-13,23H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHXDCKJKNGLWLE-UHFFFAOYSA-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: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01736, Muscarinic acetylcholine receptor M4