General Information of the Compound
| Compound ID |
CP0339626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-Morpholin-4-ylmethylpyridin-2-ylamino)thiazole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H15N5OS
|
||||||||||||||||||
| Molecular Weight |
301.375
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1cnc(Nc2cc(CN3CCOCC3)ccn2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15N5OS/c15-8-12-9-17-14(21-12)18-13-7-11(1-2-16-13)10-19-3-5-20-6-4-19/h1-2,7,9H,3-6,10H2,(H,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGUVPQBJXJTWIH-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