General Information of the Compound
| Compound ID |
CP0088423
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H26ClN5O
|
||||||||||||||||||
| Molecular Weight |
375.904
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc(N)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H26ClN5O/c1-12(2)25-18(13-3-5-24(6-4-13)15-10-26-11-15)8-17(23-25)14-7-16(20)19(21)22-9-14/h7-9,12-13,15H,3-6,10-11H2,1-2H3,(H2,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NUWMYJNYJQLGCV-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: PT02542, Mitogen-activated protein kinase kinase kinase 12