General Information of the Compound
| Compound ID |
CP0289053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)phenoxy)propyl)-1,2,3,4-tetrahydroisoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27FN4O
|
||||||||||||||||||
| Molecular Weight |
478.571
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCc3ccccc3C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27FN4O/c31-24-9-14-29-28(20-24)33-30(27-8-3-4-16-32-27)35(29)25-10-12-26(13-11-25)36-19-5-17-34-18-15-22-6-1-2-7-23(22)21-34/h1-4,6-14,16,20H,5,15,17-19,21H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCFNOILQWULHEZ-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