General Information of the Compound
| Compound ID |
CP0464241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S,4S)-4-hydroxyoxan-3-yl]-1-[(1-methylindazol-5-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N5O3
|
||||||||||||||||||
| Molecular Weight |
405.458
|
||||||||||||||||||
| Canonical SMILES |
Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc34)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N5O3/c1-26-18-5-4-14(9-15(18)10-24-26)11-27-12-16(21-19(27)3-2-7-23-21)22(29)25-17-13-30-8-6-20(17)28/h2-5,7,9-10,12,17,20,28H,6,8,11,13H2,1H3,(H,25,29)/t17-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LYJAMSDSQDEVPS-PXNSSMCTSA-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