General Information of the Compound
| Compound ID |
CP0550750
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-4-[4-[(2-methylsulfonylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17ClN4O4S
|
||||||||||||||||||
| Molecular Weight |
396.856
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17ClN4O4S/c1-26(24,25)13-5-3-2-4-11(13)9-21-7-6-20(10-14(21)22)12-8-18-19-16(23)15(12)17/h2-5,8H,6-7,9-10H2,1H3,(H,19,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTRCBEXHYIAYJI-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