General Information of the Compound
| Compound ID |
CP0175239
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,7-Dimethyl-2-(ethylthio)-3-phenylsulfonyl-pyrazolo[1,5-a]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17N3O2S2
|
||||||||||||||||||
| Molecular Weight |
347.465
|
||||||||||||||||||
| Canonical SMILES |
CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17N3O2S2/c1-4-22-16-14(23(20,21)13-8-6-5-7-9-13)15-17-11(2)10-12(3)19(15)18-16/h5-10H,4H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJUVKKHOHPQYMO-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