General Information of the Compound
| Compound ID |
CP0427197
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N4O3S
|
||||||||||||||||||
| Molecular Weight |
424.526
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N4O3S/c1-17-5-7-19(8-6-17)25-11-13-26(14-12-25)22(27)16-24-30(28,29)21-4-2-3-18-15-23-10-9-20(18)21/h2-10,15,24H,11-14,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSAZOBXBXQYOOF-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