General Information of the Compound
| Compound ID |
CP0405042
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(6-((5-ethyl-4-methyloxazol-2-ylthio)methyl)-4-morpholinopyridin-2-ylamino)acetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23N5O2S
|
||||||||||||||||||
| Molecular Weight |
373.482
|
||||||||||||||||||
| Canonical SMILES |
CCc1oc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23N5O2S/c1-3-16-13(2)21-18(25-16)26-12-14-10-15(23-6-8-24-9-7-23)11-17(22-14)20-5-4-19/h10-11H,3,5-9,12H2,1-2H3,(H,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
STJIWVIONURLLU-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
Protein ID: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2