General Information of the Compound
| Compound ID |
CP0885937
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-{2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-pyridine-2-carboxylic acid methylamide; Dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27BrCl4N6O4
|
||||||||||||||||||
| Molecular Weight |
733.278
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cn1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25BrCl2N6O4.2ClH/c1-16-26(29)37-12-4-5-22(27(37)35-16)41-15-18-19(30)8-10-21(25(18)31)36(3)24(39)14-34-23(38)11-7-17-6-9-20(33-13-17)28(40)32-2;;/h4-13H,14-15H2,1-3H3,(H,32,40)(H,34,38);2*1H/b11-7+;;
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYWWEFSQWUWBCX-FCVAESPPSA-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