General Information of the Compound
| Compound ID |
CP0521188
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-4-fluoro-1-(2-fluorophenyl)-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21F2N3O
|
||||||||||||||||||
| Molecular Weight |
393.437
|
||||||||||||||||||
| Canonical SMILES |
CNCC[C@H](c1ccccc1)n1c2c(F)cccc2n(-c2ccccc2F)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21F2N3O/c1-26-15-14-19(16-8-3-2-4-9-16)28-22-18(25)11-7-13-21(22)27(23(28)29)20-12-6-5-10-17(20)24/h2-13,19,26H,14-15H2,1H3/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIAVVXCRSHJORD-LJQANCHMSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter