General Information of the Compound
| Compound ID |
CP0147595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28ClNO2
|
||||||||||||||||||
| Molecular Weight |
421.968
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2cc(ccc2c1Cl)C(O)CCN1CCC(Cc2ccccc2)=CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28ClNO2/c1-30-25-10-8-21-18-22(7-9-23(21)26(25)27)24(29)13-16-28-14-11-20(12-15-28)17-19-5-3-2-4-6-19/h2-11,18,24,29H,12-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYIMWQCCVNSNJW-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter