General Information of the Compound
| Compound ID |
CP0166285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[1-[6-(2-aminoethylamino)pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F3N8O
|
||||||||||||||||||
| Molecular Weight |
546.557
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F3N8O/c1-17-9-10-20(36-26(40)18-5-4-6-19(13-18)28(29,30)31)14-22(17)38-27-37-21-7-2-3-8-23(21)39(27)25-15-24(33-12-11-32)34-16-35-25/h2-10,13-16H,11-12,32H2,1H3,(H,36,40)(H,37,38)(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIMGPUJDZNAMSM-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