General Information of the Compound
| Compound ID |
CP0379563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-piperidin-1-yl)(tetrahydrofuran-3-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H25N5O2
|
||||||||||||||||||
| Molecular Weight |
343.431
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCOC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H25N5O2/c1-12-4-7-23(18(24)13-5-8-25-10-13)9-15(12)22(2)17-14-3-6-19-16(14)20-11-21-17/h3,6,11-13,15H,4-5,7-10H2,1-2H3,(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGNOXKOLEZVMMV-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