General Information of the Compound
| Compound ID |
CP0556671
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3O3
|
||||||||||||||||||
| Molecular Weight |
313.357
|
||||||||||||||||||
| Canonical SMILES |
O=C(Oc1ccccc1)N1CCNCC1COc1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3O3.ClH/c21-17(23-15-5-2-1-3-6-15)20-10-9-19-11-14(20)13-22-16-7-4-8-18-12-16;/h1-8,12,14,19H,9-11,13H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKNNEQJHGBFXHK-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