General Information of the Compound
| Compound ID |
CP0451707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxymethyl)pyrazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
354.281
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(COCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21Cl2N3O/c1-13-10-14(12-23-9-8-21-6-2-3-7-21)20-22(13)15-4-5-16(18)17(19)11-15/h4-5,10-11H,2-3,6-9,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJAUBDXQDODCGO-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