General Information of the Compound
| Compound ID |
CP0428352
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4'-(pyridin-4-ylmethyl)biphenyl-3-amine
Show/Hide
|
||||||||||||||||||
| Synonyms |
4'-(Pyridin-4-ylmethyl)biphenyl-3-amine
BDBM50322783
CHEMBL1171987
SCHEMBL18770411
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16N2
|
||||||||||||||||||
| Molecular Weight |
260.34
|
||||||||||||||||||
| Canonical SMILES |
Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N2/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12,19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVDKLMQNQSJYHJ-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Clinical Information about the Compound