General Information of the Compound
| Compound ID |
CP0411986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-N-(oxan-4-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25N5O2
|
||||||||||||||||||
| Molecular Weight |
415.497
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc2c(Cc3ccc(cc3)-n3cccn3)cc(nc12)C(=O)NC1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N5O2/c1-28-12-7-21-18(15-17-3-5-20(6-4-17)29-11-2-10-25-29)16-22(27-23(21)28)24(30)26-19-8-13-31-14-9-19/h2-7,10-12,16,19H,8-9,13-15H2,1H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDVXKQHNMHYAJS-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