General Information of the Compound
| Compound ID |
CP0452477
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzimidazolone scaffold, 8g
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N4O2
|
||||||||||||||||||
| Molecular Weight |
442.563
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N4O2/c1-21-8-3-4-11-24(21)29-17-14-28(15-18-29)16-19-30-25-12-5-6-13-26(25)31(27(30)32)22-9-7-10-23(20-22)33-2/h3-13,20H,14-19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJKXYCSLNNWPCJ-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