General Information of the Compound
| Compound ID |
CP0418645
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(4-morpholin-4-ylbutyl)indol-3-yl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C25H26F2N4O2
|
||||||||||||||||||
| Molecular Weight |
452.505
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(nc2ccc(F)cc12)C(=O)c1cn(CCCCN2CCOCC2)c2c(F)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26F2N4O2/c1-29-22-15-17(26)7-8-21(22)28-25(29)24(32)19-16-31(23-18(19)5-4-6-20(23)27)10-3-2-9-30-11-13-33-14-12-30/h4-8,15-16H,2-3,9-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQJLDVNKIIBXFW-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 | |||||||||||||||||||
| 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