General Information of the Compound
| Compound ID |
CP0389541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-adamantyl)-2-[(4-ethoxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H41N3O2
|
||||||||||||||||||
| Molecular Weight |
499.699
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H41N3O2/c1-4-37-27-8-5-22(6-9-27)16-30-33-28-17-26(7-10-29(28)35(30)12-11-21(2)3)31(36)34-32-18-23-13-24(19-32)15-25(14-23)20-32/h5-10,17,21,23-25H,4,11-16,18-20H2,1-3H3,(H,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLVVIZZQEMYGFN-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