General Information of the Compound
| Compound ID |
CP0543390
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[4-(2-cyclohexylacetyl)piperazin-1-yl]ethylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H32N6O2S
|
||||||||||||||||||
| Molecular Weight |
432.594
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(=O)n2nc(NCCN3CCN(CC3)C(=O)CC3CCCCC3)sc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32N6O2S/c1-2-17-15-19(29)27-21(23-17)30-20(24-27)22-8-9-25-10-12-26(13-11-25)18(28)14-16-6-4-3-5-7-16/h15-16H,2-14H2,1H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BUPUXLUBQXBLBE-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 | |||||||||||||||||||
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