General Information of the Compound
| Compound ID |
CP0226830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,2-dimethyl-5-(quinoxalin-6-yl)-4-(thiophen-3-yl)-1H-pyrazol-3(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14N4OS
|
||||||||||||||||||
| Molecular Weight |
322.393
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(c(-c2ccsc2)c(=O)n1C)-c1ccc2nccnc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14N4OS/c1-20-16(11-3-4-13-14(9-11)19-7-6-18-13)15(17(22)21(20)2)12-5-8-23-10-12/h3-10H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBBHFCIAWFFJHH-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