General Information of the Compound
| Compound ID |
CP0166377
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[1-(6-methoxypyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H21F3N6O2
|
||||||||||||||||||
| Molecular Weight |
518.499
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H21F3N6O2/c1-16-10-11-19(33-25(37)17-6-5-7-18(12-17)27(28,29)30)13-21(16)35-26-34-20-8-3-4-9-22(20)36(26)23-14-24(38-2)32-15-31-23/h3-15H,1-2H3,(H,33,37)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEXPKIRCYBYITI-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
Protein ID: PT01101, Insulin receptor
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT00876, Tyrosine-protein kinase Lck
Protein ID: PT00875, Tyrosine-protein kinase Lyn
Protein ID: PT00864, Vascular endothelial growth factor receptor 2