General Information of the Compound
| Compound ID |
CP0914022
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-Chloro-2(pyridine-4-carbonyl)-phenyl]-4-(1,1-dioxothiomorpholin-4-yl)-benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20ClN3O5S2
|
||||||||||||||||||
| Molecular Weight |
506.005
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20ClN3O5S2/c23-17-1-6-21(20(15-17)22(27)16-7-9-24-10-8-16)25-33(30,31)19-4-2-18(3-5-19)26-11-13-32(28,29)14-12-26/h1-10,15,25H,11-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOOBGYSBQNTSFE-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