General Information of the Compound
| Compound ID |
CP0462824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-bromo-5-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-1-methyl-2-phenyl-1H-pyrazol-3(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25BrN4O2
|
||||||||||||||||||
| Molecular Weight |
457.372
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(Cc2c(Br)c(=O)n(-c3ccccc3)n2C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25BrN4O2/c1-24-19(21(23)22(28)27(24)17-8-4-3-5-9-17)16-25-12-14-26(15-13-25)18-10-6-7-11-20(18)29-2/h3-11H,12-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBUUFCWVFPNPNR-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