General Information of the Compound
| Compound ID |
CP0458070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-(oxan-4-yl)pyrrolo[2,3-b]pyridine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N5O2
|
||||||||||||||||||
| Molecular Weight |
429.524
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N5O2/c1-29-11-7-21-19(15-17-3-5-18(6-4-17)22-8-12-30(2)28-22)16-23(27-24(21)29)25(31)26-20-9-13-32-14-10-20/h3-8,11-12,16,20H,9-10,13-15H2,1-2H3,(H,26,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHGCOSQBGKCSTA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01913, Muscarinic acetylcholine receptor M1