General Information of the Compound
| Compound ID |
CP0455622
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19N7O
|
||||||||||||||||||
| Molecular Weight |
397.442
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc(NC(=O)c2cn(Cc3ccc(cc3)-n3cccn3)c3cccnc23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19N7O/c1-27-13-9-20(26-27)25-22(30)18-15-28(19-4-2-10-23-21(18)19)14-16-5-7-17(8-6-16)29-12-3-11-24-29/h2-13,15H,14H2,1H3,(H,25,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DHRDIENMVNDVSW-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