General Information of the Compound
| Compound ID |
CP0400923
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-(4-bromophenyl)-5-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)propyl-methylamino]-2-propan-2-ylpentanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38BrN3O2
|
||||||||||||||||||
| Molecular Weight |
528.535
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C(CCCN(C)CCCc1nc2cc(C)c(C)cc2[nH]1)(C(C)C)c1ccc(Br)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38BrN3O2/c1-19(2)28(27(33)34-6,22-10-12-23(29)13-11-22)14-8-16-32(5)15-7-9-26-30-24-17-20(3)21(4)18-25(24)31-26/h10-13,17-19H,7-9,14-16H2,1-6H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PPUATJSILURJNL-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