General Information of the Compound
| Compound ID |
CP0574446
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylamino]methyl]phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25ClN2O
|
||||||||||||||||||
| Molecular Weight |
344.886
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25ClN2O/c21-20-4-2-1-3-18(20)15-23-11-9-17(10-12-23)14-22-13-16-5-7-19(24)8-6-16/h1-8,17,22,24H,9-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMGARLKLXRAYLI-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