General Information of the Compound
| Compound ID |
CP0150281
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-methyl-3-[[1-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H31F3N8O
|
||||||||||||||||||
| Molecular Weight |
600.649
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)Nc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31F3N8O/c1-20-10-11-24(39-30(44)21-6-5-7-22(16-21)32(33,34)35)17-26(20)41-31-40-25-8-3-4-9-27(25)43(31)29-18-28(36-19-37-29)38-23-12-14-42(2)15-13-23/h3-11,16-19,23H,12-15H2,1-2H3,(H,39,44)(H,40,41)(H,36,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQVLIPDYPZXRET-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