General Information of the Compound
| Compound ID |
CP0434996
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-bromophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19BrN4O2
|
||||||||||||||||||
| Molecular Weight |
391.269
|
||||||||||||||||||
| Canonical SMILES |
Brc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19BrN4O2.ClH/c18-13-3-5-14(6-4-13)21-17(23)22-9-8-20-10-15(22)12-24-16-2-1-7-19-11-16;/h1-7,11,15,20H,8-10,12H2,(H,21,23);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKVCGKMUACCODJ-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