General Information of the Compound
| Compound ID |
CP0479649
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1-Ethyl-3,4-dihydronaphthalen-2-yl)-pyridine
Show/Hide
|
||||||||||||||||||
| Synonyms |
3-(1-ethyl-3,4-dihydronaphthalen-2-yl)-pyridine
3-(1-ethyl-3,4-dihydronaphthalen-2-yl)pyridine
AC1O70HD
AKOS015965702
BDBM8893
CHEMBL205503
CTK6D0393
Dihydronaphthalene 7
SCHEMBL4505824
ZINC13684518
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17N
|
||||||||||||||||||
| Molecular Weight |
235.33
|
||||||||||||||||||
| Canonical SMILES |
CCC1=C(CCc2ccccc12)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17N/c1-2-15-16-8-4-3-6-13(16)9-10-17(15)14-7-5-11-18-12-14/h3-8,11-12H,2,9-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKPVULIWDZEZIT-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