General Information of the Compound
| Compound ID |
CP0485534
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(6-(6-(2-(2-chloro-6-methylphenylamino)-1H-benzo[d]imidazol-1-yl)pyrimidin-4-ylamino)-2-methylpyrimidin-4-yl)piperazin-1-yl)ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31ClN10O
|
||||||||||||||||||
| Molecular Weight |
571.089
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)28(19)37-29-35-22-8-3-4-9-23(22)40(29)26-16-24(31-18-32-26)36-25-17-27(34-20(2)33-25)39-12-10-38(11-13-39)14-15-41/h3-9,16-18,41H,10-15H2,1-2H3,(H,35,37)(H,31,32,33,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZFGRQAXIHZXQBZ-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