General Information of the Compound
| Compound ID |
CP0472926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[[5-bromo-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-1-(2-methylpropanoyl)spiro[azetidine-3,3'-indole]-2'-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29BrN4O3
|
||||||||||||||||||
| Molecular Weight |
525.447
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)N1CC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29BrN4O3/c1-17(2)24(33)29-15-26(16-29)19-7-3-4-8-21(19)31(25(26)34)14-23-28-20-13-18(27)9-10-22(20)30(23)11-5-6-12-32/h3-4,7-10,13,17,32H,5-6,11-12,14-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BUSNDKFBBCTEOC-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