General Information of the Compound
| Compound ID |
CP0449379
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-morpholin-4-ylethoxy)pyrazol-4-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
398.29
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1c(C)n(nc1OCCN1CCOCC1)-c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21Cl2N3O3/c1-12-17(13(2)24)18(26-10-7-22-5-8-25-9-6-22)21-23(12)14-3-4-15(19)16(20)11-14/h3-4,11H,5-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFDSTJZVYSACEY-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