General Information of the Compound
| Compound ID |
CP0921718
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-chloro-2-hydroxy-3-(4-piperidinylsulfo-nyl)phenyl]-N'-[2-(phenyloxy)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24ClN3O5S
|
||||||||||||||||||
| Molecular Weight |
501.992
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccccc1Oc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)C2CCNCC2)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24ClN3O5S/c25-18-10-11-20(22(29)23(18)34(31,32)17-12-14-26-15-13-17)28-24(30)27-19-8-4-5-9-21(19)33-16-6-2-1-3-7-16/h1-11,17,26,29H,12-15H2,(H2,27,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VSFXNIKJSPGYDK-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