General Information of the Compound
| Compound ID |
CP0487473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[(3,5-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridin-4-yl]piperidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N3O
|
||||||||||||||||||
| Molecular Weight |
415.581
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(OCc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N3O/c1-18-9-19(2)12-22(11-18)26-16-29-15-23(27(26)30-7-5-24(28)6-8-30)17-31-25-13-20(3)10-21(4)14-25/h9-16,24H,5-8,17,28H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZDQHFPUNJBKNAA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01505, Somatostatin receptor type 2