General Information of the Compound
| Compound ID |
CP0944455
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-ethyl-1H-pyrazol-3-yl)-2-(hydroxydiphenylmethyl)-1-(oxetan-3-yl)-1H-benzo[d]imidazole-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H27N5O3
|
||||||||||||||||||
| Molecular Weight |
493.567
|
||||||||||||||||||
| Canonical SMILES |
CCn1ccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(C4COC4)c3c2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27N5O3/c1-2-33-16-15-26(32-33)31-27(35)20-13-14-24-25(17-20)34(23-18-37-19-23)28(30-24)29(36,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17,23,36H,2,18-19H2,1H3,(H,31,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIXZPOZLANQNRS-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