General Information of the Compound
| Compound ID |
CP0847420
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-((4-chloro-2,5-dimethylphenylsulfonyl)methyl)-1H-pyrazol-3(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H13ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
300.767
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(S(=O)(=O)Cc2cc(=O)[nH][nH]2)c(C)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H13ClN2O3S/c1-7-4-11(8(2)3-10(7)13)19(17,18)6-9-5-12(16)15-14-9/h3-5H,6H2,1-2H3,(H2,14,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUZQIHXAXMBAGG-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