General Information of the Compound
| Compound ID |
CP0954829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
{2-[2-(5-Morpholin-4-yl-pyridin-2-ylamino)-pyridin-4-yl]-thieno[3,2-d]pyrimidin-4-yl}-(R)-pyrrolidin-3-yl-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N8OS
|
||||||||||||||||||
| Molecular Weight |
474.594
|
||||||||||||||||||
| Canonical SMILES |
c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(N3CCOCC3)cn2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N8OS/c1-2-20(27-15-18(1)32-8-10-33-11-9-32)30-21-13-16(3-7-26-21)23-29-19-5-12-34-22(19)24(31-23)28-17-4-6-25-14-17/h1-3,5,7,12-13,15,17,25H,4,6,8-11,14H2,(H,26,27,30)(H,28,29,31)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBSMMMCZYUSYTC-QGZVFWFLSA-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