General Information of the Compound
| Compound ID |
CP0525948
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzimidazolone scaffold, 8h
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N4O3
|
||||||||||||||||||
| Molecular Weight |
458.562
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2OC)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N4O3/c1-33-22-13-11-21(12-14-22)31-24-8-4-3-7-23(24)30(27(31)32)20-17-28-15-18-29(19-16-28)25-9-5-6-10-26(25)34-2/h3-14H,15-20H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SVPQTGJCGMMFHR-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