General Information of the Compound
| Compound ID |
CP0008947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[(dimethylamino)methyl]phenyl]pyridin-3-yl]-2-methoxypyridine-3-sulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H28N4O4S
|
||||||||||||||||||
| Molecular Weight |
480.59
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN(C)C)cc1)C1=CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4O4S/c1-29(2)17-18-4-6-19(7-5-18)21-12-23(16-26-14-21)28-34(30,31)24-13-22(15-27-25(24)32-3)20-8-10-33-11-9-20/h4-8,12-16,28H,9-11,17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
USOMOIFTHZOTFO-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 | |||||||||||||||||||
| 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