General Information of the Compound
| Compound ID |
CP0428687
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-oxo-2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O3S
|
||||||||||||||||||
| Molecular Weight |
452.58
|
||||||||||||||||||
| Canonical SMILES |
O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CCCc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O3S/c29-24(19-26-32(30,31)23-10-4-9-21-18-25-12-11-22(21)23)28-16-14-27(15-17-28)13-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-12,18,26H,5,8,13-17,19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVYJDXYASYNOKN-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