General Information of the Compound
| Compound ID |
CP0489334
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N2O
|
||||||||||||||||||
| Molecular Weight |
394.518
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(cc3)C(C)(C)C)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N2O/c1-18(30)22-7-5-6-8-23(22)20-12-15-24-25(17-20)29-26(28-24)16-11-19-9-13-21(14-10-19)27(2,3)4/h5-17H,1-4H3,(H,28,29)/b16-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWVYHHGFLJFAPN-LFIBNONCSA-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