General Information of the Compound
| Compound ID |
CP0954188
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
{2-[2-(4-Imidazol-1-ylmethyl-phenylamino)-pyridin-4-yl]-thieno[3,2-d]pyrimidin-4-yl}-(R)-pyrrolidin-3-yl-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N8S
|
||||||||||||||||||
| Molecular Weight |
468.59
|
||||||||||||||||||
| Canonical SMILES |
c1cn(Cc2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)cc2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N8S/c1-3-19(4-2-17(1)15-33-11-10-27-16-33)29-22-13-18(5-9-28-22)24-31-21-7-12-34-23(21)25(32-24)30-20-6-8-26-14-20/h1-5,7,9-13,16,20,26H,6,8,14-15H2,(H,28,29)(H,30,31,32)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXSHGHOITDSZNE-HXUWFJFHSA-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