General Information of the Compound
| Compound ID |
CP0440742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzimidazolone scaffold, 17f
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N4O3
|
||||||||||||||||||
| Molecular Weight |
486.616
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1c2ccccc2n(CCCCN2CCN(CC2)c2ccccc2OC)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N4O3/c1-35-24-15-13-23(14-16-24)33-26-10-4-3-9-25(26)32(29(33)34)18-8-7-17-30-19-21-31(22-20-30)27-11-5-6-12-28(27)36-2/h3-6,9-16H,7-8,17-22H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIHNXIKXLNUWCB-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