General Information of the Compound
| Compound ID |
CP0451508
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25F2NS
|
||||||||||||||||||
| Molecular Weight |
397.534
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25F2NS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)28-18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IWZNOFWARONDLD-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT00884, Sodium-dependent dopamine transporter