General Information of the Compound
| Compound ID |
CP0472920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-1,3-benzoxazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N3O3
|
||||||||||||||||||
| Molecular Weight |
337.379
|
||||||||||||||||||
| Canonical SMILES |
OCCCCn1c(Cn2c3ccccc3oc2=O)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N3O3/c23-12-6-5-11-21-15-8-2-1-7-14(15)20-18(21)13-22-16-9-3-4-10-17(16)25-19(22)24/h1-4,7-10,23H,5-6,11-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLADWWWLMPUNMB-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