General Information of the Compound
| Compound ID |
CP0381104
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N7O2
|
||||||||||||||||||
| Molecular Weight |
457.538
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N7O2/c1-30-12-14-31(15-13-30)20-4-2-19(3-5-20)28-25-27-10-7-21(29-25)23-16-18-17-32(24(33)6-9-26)11-8-22(18)34-23/h2-5,7,10,16H,6,8,11-15,17H2,1H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHUHRHZKZBJUHT-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: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT05132, Tyrosine-protein kinase JAK3