General Information of the Compound
| Compound ID |
CP0394699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H11BrClN3O4S
|
||||||||||||||||||
| Molecular Weight |
420.672
|
||||||||||||||||||
| Canonical SMILES |
NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H11BrClN3O4S/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)12(11(10)19)23(16,21)22/h1-6,19H,(H2,16,21,22)(H2,17,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDYZJBDAHGMIIH-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
Protein ID: PT01304, C-X-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2