General Information of the Compound
| Compound ID |
CP0947357
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(3-azetidinylsulfonyl)-4-chloro-2-hydroxyphenyl]-N'-(3-fluoro-3-methylphenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17ClFN3O4S
|
||||||||||||||||||
| Molecular Weight |
413.858
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C2CNC2)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17ClFN3O4S/c1-9-12(19)3-2-4-13(9)21-17(24)22-14-6-5-11(18)16(15(14)23)27(25,26)10-7-20-8-10/h2-6,10,20,23H,7-8H2,1H3,(H2,21,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQJOUUXCZZNDSH-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