General Information of the Compound
| Compound ID |
CP0562082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-oxothieno[3,2-d]pyrimidin-6-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24N4O3S
|
||||||||||||||||||
| Molecular Weight |
472.57
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24N4O3S/c1-32-23-14-20(8-9-22(23)33-13-12-29-10-2-3-11-29)30-17-28-21-15-24(34-25(21)26(30)31)19-6-4-18(16-27)5-7-19/h4-9,14-15,17H,2-3,10-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOLJOKXUPUYCNJ-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