General Information of the Compound
| Compound ID |
CP0402115
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-piperazin-1-yl-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21N5S
|
||||||||||||||||||
| Molecular Weight |
351.479
|
||||||||||||||||||
| Canonical SMILES |
C1CCc2c(C1)sc1nc(nc(N3CCNCC3)c21)-c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21N5S/c1-2-4-15-14(3-1)16-18(24-11-9-21-10-12-24)22-17(23-19(16)25-15)13-5-7-20-8-6-13/h5-8,21H,1-4,9-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVENTSJOKWJQFG-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