General Information of the Compound
| Compound ID |
CP0281039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28ClN3O2
|
||||||||||||||||||
| Molecular Weight |
437.971
|
||||||||||||||||||
| Canonical SMILES |
OC1CCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(Cl)cc3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28ClN3O2/c26-21-7-5-20(6-8-21)25-12-9-22(27-28-25)2-1-17-31-24-10-3-19(4-11-24)18-29-15-13-23(30)14-16-29/h3-12,23,30H,1-2,13-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOJATLFQZGUAPH-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