General Information of the Compound
| Compound ID |
CP0127751
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclohexyl-2-[(6,7-dimethyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N4O2S
|
||||||||||||||||||
| Molecular Weight |
410.543
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]c2c(nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c2=O)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N4O2S/c1-14-15(2)23-20-19(14)25-22(26(21(20)28)17-11-7-4-8-12-17)29-13-18(27)24-16-9-5-3-6-10-16/h4,7-8,11-12,16,23H,3,5-6,9-10,13H2,1-2H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BALGQQLOEAXWTD-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: PT03343, Toll-like receptor 4
Protein ID: PT03041, Toll-like receptor 4