General Information of the Compound
| Compound ID |
CP0870780
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,5-Dimethyl-4-((2-((4-((4-nitrobenzyl)amino)cyclohexyl)amino)-thieno[3,2-d]pyrimidin-4-yl)oxy)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N6O3S
|
||||||||||||||||||
| Molecular Weight |
528.638
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCC(NCc3ccc([N+](=O)[O-])cc3)CC2)nc2ccsc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N6O3S/c1-17-13-20(15-29)14-18(2)25(17)37-27-26-24(11-12-38-26)32-28(33-27)31-22-7-5-21(6-8-22)30-16-19-3-9-23(10-4-19)34(35)36/h3-4,9-14,21-22,30H,5-8,16H2,1-2H3,(H,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVVPTKRQLWUVJU-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
Protein ID: PT00005, Reverse transcriptase/RNaseH
Cell-based Assay