General Information of the Compound
| Compound ID |
CP0147358
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylphenyl]-3,5-dichlorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H19Cl2N7O
|
||||||||||||||||||
| Molecular Weight |
504.381
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19Cl2N7O/c1-14-6-7-18(31-24(35)15-8-16(26)10-17(27)9-15)11-20(14)33-25-32-19-4-2-3-5-21(19)34(25)23-12-22(28)29-13-30-23/h2-13H,1H3,(H,31,35)(H,32,33)(H2,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJPZZAAKTVLITO-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