General Information of the Compound
| Compound ID |
CP0387403
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,5-dimethyl-4-[2-[[1-[(1-methylsulfonylimidazol-4-yl)methyl]piperidin-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N7O3S2
|
||||||||||||||||||
| Molecular Weight |
537.671
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cn(cn3)S(C)(=O)=O)CC2)nc2ccsc12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N7O3S2/c1-16-10-18(12-26)11-17(2)22(16)35-24-23-21(6-9-36-23)29-25(30-24)28-19-4-7-31(8-5-19)13-20-14-32(15-27-20)37(3,33)34/h6,9-11,14-15,19H,4-5,7-8,13H2,1-3H3,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAZUVMQRDUXXOS-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