General Information of the Compound
| Compound ID |
CP0404746
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Morpholin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H12N4O
|
||||||||||||||||||
| Molecular Weight |
228.255
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1c([nH]c2cccnc12)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H12N4O/c13-8-9-11-10(2-1-3-14-11)15-12(9)16-4-6-17-7-5-16/h1-3,15H,4-7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHHBQFRXJWPATH-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