General Information of the Compound
| Compound ID |
CP0485572
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]cinnoline-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N6O2
|
||||||||||||||||||
| Molecular Weight |
392.463
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cnc(nc1)N1CC(C1)NC(=O)c1ccc2nnc(C)c(C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N6O2/c1-12(2)29-17-8-22-21(23-9-17)27-10-16(11-27)24-20(28)15-5-6-19-18(7-15)13(3)14(4)25-26-19/h5-9,12,16H,10-11H2,1-4H3,(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRKCOQOCHCFMPV-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