General Information of the Compound
| Compound ID |
CP0952748
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Piperazin-1-yl-2-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N6S
|
||||||||||||||||||
| Molecular Weight |
340.456
|
||||||||||||||||||
| Canonical SMILES |
c1n[nH]cc1-c1nc(N2CCNCC2)c2c3c(sc2n1)CCCC3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N6S/c1-2-4-13-12(3-1)14-16(23-7-5-18-6-8-23)21-15(22-17(14)24-13)11-9-19-20-10-11/h9-10,18H,1-8H2,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTKXJQLWMUNMSB-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