General Information of the Compound
| Compound ID |
CP0812549
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-(benzo[d]thiazol-2-yl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18N6O2S2
|
||||||||||||||||||
| Molecular Weight |
462.56
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cnn(-c2nc3ccsc3c(=O)[nH]2)c1)N1CCC(c2nc3ccccc3s2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18N6O2S2/c29-19-18-16(7-10-31-18)25-22(26-19)28-12-14(11-23-28)21(30)27-8-5-13(6-9-27)20-24-15-3-1-2-4-17(15)32-20/h1-4,7,10-13H,5-6,8-9H2,(H,25,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMSSASFVJWYPBP-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