General Information of the Compound
| Compound ID |
CP0850710
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-tert-butyl-N-(4-chloro-2-(pyrimidine-4-carbonyl)phenyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
429.929
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20ClN3O3S/c1-21(2,3)14-4-7-16(8-5-14)29(27,28)25-18-9-6-15(22)12-17(18)20(26)19-10-11-23-13-24-19/h4-13,25H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKVAOBRUMPEXTG-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