General Information of the Compound
| Compound ID |
CP0379555
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Benzyl-3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carbonyl)pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N6O2
|
||||||||||||||||||
| Molecular Weight |
446.555
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCN(Cc2ccccc2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N6O2/c1-17-9-12-31(15-21(17)29(2)23-19-8-11-26-22(19)27-16-28-23)25(33)20-10-13-30(24(20)32)14-18-6-4-3-5-7-18/h3-8,11,16-17,20-21H,9-10,12-15H2,1-2H3,(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKODHKNZMAPUTK-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: PT01659, Tyrosine-protein kinase JAK1
Protein ID: PT00892, Tyrosine-protein kinase JAK3