General Information of the Compound
| Compound ID |
CP0526640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{[2-(4-methoxyphenyl)ethyl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N4O6
|
||||||||||||||||||
| Molecular Weight |
558.635
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N4O6/c1-37-23-12-10-21(11-13-23)14-15-33-31-34-20-25(30(36)32-16-17-41-24-8-6-5-7-9-24)28(35-31)22-18-26(38-2)29(40-4)27(19-22)39-3/h5-13,18-20H,14-17H2,1-4H3,(H,32,36)(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFBMUOITMXZCCK-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