General Information of the Compound
| Compound ID |
CP0530733
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[2-(4-bromo-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-propan-2-ylamino]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28BrN5O2
|
||||||||||||||||||
| Molecular Weight |
522.447
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3cccc(c3)C(N)=O)c2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28BrN5O2/c1-15(2)32(19-9-6-8-17(13-19)25(28)33)21-11-7-10-20-24(21)31(4)26(29-20)30-23-16(3)12-18(27)14-22(23)34-5/h6-15H,1-5H3,(H2,28,33)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNTXJESSMOENBF-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