General Information of the Compound
| Compound ID |
CP0439341
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23N7OS
|
||||||||||||||||||
| Molecular Weight |
385.497
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)Nc1cc(C)ns1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23N7OS/c1-11-5-7-25(18(26)22-15-8-12(2)23-27-15)9-14(11)24(3)17-13-4-6-19-16(13)20-10-21-17/h4,6,8,10-11,14H,5,7,9H2,1-3H3,(H,22,26)(H,19,20,21)/t11-,14+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZXYNRDSRVDEFY-RISCZKNCSA-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: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT00892, Tyrosine-protein kinase JAK3