General Information of the Compound
| Compound ID |
CP0540417
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R)-1-[6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophen-3-yl]-2,2,2-trifluoroethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F3N4O2S
|
||||||||||||||||||
| Molecular Weight |
538.595
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc2c(csc2c1)[C@@H](O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F3N4O2S/c1-35(2)13-14-37-20-6-3-18(4-7-20)27-33-24(17-9-11-32-12-10-17)25(34-27)19-5-8-21-22(16-38-23(21)15-19)26(36)28(29,30)31/h3-12,15-16,26,36H,13-14H2,1-2H3,(H,33,34)/t26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NARRGMMZZFHNIL-AREMUKBSSA-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