General Information of the Compound
| Compound ID |
CP0542121
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[2-[4-(morpholin-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N6O2S
|
||||||||||||||||||
| Molecular Weight |
486.601
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(CN4CCOCC4)cc3)nc3ccsc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N6O2S/c1-2-23(33)27-20-4-3-5-21(16-20)28-25-24-22(10-15-35-24)30-26(31-25)29-19-8-6-18(7-9-19)17-32-11-13-34-14-12-32/h2-10,15-16H,1,11-14,17H2,(H,27,33)(H2,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MATMLMQAUYFNDU-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