General Information of the Compound
| Compound ID |
CP0095679
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[4-[3-(6-phenoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N4O2
|
||||||||||||||||||
| Molecular Weight |
418.541
|
||||||||||||||||||
| Canonical SMILES |
OC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N4O2/c30-23-14-17-29(18-15-23)19-20-8-10-21(11-9-20)26-16-4-5-22-12-13-25(28-27-22)31-24-6-2-1-3-7-24/h1-3,6-13,23,26,30H,4-5,14-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXIMXZUTJXQUOO-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