General Information of the Compound
| Compound ID |
CP0534113
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl 2-morpholin-4-ylethanesulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21Cl2N3O5S
|
||||||||||||||||||
| Molecular Weight |
450.344
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1Cl)-n1ccc(OCCOS(=O)(=O)CCN2CCOCC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21Cl2N3O5S/c18-15-2-1-14(13-16(15)19)22-4-3-17(20-22)26-10-11-27-28(23,24)12-7-21-5-8-25-9-6-21/h1-4,13H,5-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZTJMDJCAJOQKE-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