General Information of the Compound
| Compound ID |
CP0561081
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(6-pyridin-3-ylnaphthalen-2-yl)methylamino]ethyl]isoquinoline-5-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24N4O2S
|
||||||||||||||||||
| Molecular Weight |
468.582
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(NCCNCc1ccc2cc(ccc2c1)-c1cccnc1)c1cccc2cnccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24N4O2S/c32-34(33,27-5-1-3-25-19-29-12-10-26(25)27)31-14-13-30-17-20-6-7-22-16-23(9-8-21(22)15-20)24-4-2-11-28-18-24/h1-12,15-16,18-19,30-31H,13-14,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CACFDXCYYOBHIN-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