General Information of the Compound
Compound ID |
CP0397985
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
N'-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]-N,N'-dimethylethane-1,2-diamine
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C27H33FN2O
|
||||||||||||||||||
Molecular Weight |
420.572
|
||||||||||||||||||
Canonical SMILES |
CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)CCc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C27H33FN2O/c1-29(18-17-23-13-15-26(28)16-14-23)19-20-30(2)21-22-31-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,27H,17-22H2,1-2H3
Show/Hide
|
||||||||||||||||||
InChIKey |
NVIYCTHUJATAOR-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