General Information of the Compound
| Compound ID |
CP0903508
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((2-((4-(benzylamino)cyclohexyl)amino)thieno[3,2-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N5OS
|
||||||||||||||||||
| Molecular Weight |
483.641
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCC(NCc3ccccc3)CC2)nc2ccsc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N5OS/c1-18-14-21(16-29)15-19(2)25(18)34-27-26-24(12-13-35-26)32-28(33-27)31-23-10-8-22(9-11-23)30-17-20-6-4-3-5-7-20/h3-7,12-15,22-23,30H,8-11,17H2,1-2H3,(H,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPYUJSWPJVIHTQ-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