General Information of the Compound
| Compound ID |
CP0437872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-[4-[[1-[2-(2-azidoethoxy)ethyl]triazol-4-yl]methylcarbamoylamino]phenyl]-3-[[benzyl(methyl)amino]methyl]-8-[(2,6-difluorophenyl)methyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H40F2N12O5
|
||||||||||||||||||
| Molecular Weight |
794.824
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)NCc2cn(CCOCCN=[N+]=[N-])nn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H40F2N12O5/c1-3-58-37(55)31-24-51(23-30-32(40)10-7-11-33(30)41)39-46-35(34(53(39)36(31)54)25-50(2)21-26-8-5-4-6-9-26)27-12-14-28(15-13-27)45-38(56)43-20-29-22-52(49-47-29)17-19-57-18-16-44-48-42/h4-15,22,24H,3,16-21,23,25H2,1-2H3,(H2,43,45,56)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYKMXDGSCXWDJN-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