General Information of the Compound
| Compound ID |
CP0449002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-Bromo-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23BrN4O
|
||||||||||||||||||
| Molecular Weight |
403.324
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Br)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23BrN4O/c1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18/h3-9,14H,10-13H2,1-2H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNALNVCQQLOHRQ-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