General Information of the Compound
| Compound ID |
CP0526642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[benzyl(methyl)amino]-4-(4-methoxyphenyl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N4O3
|
||||||||||||||||||
| Molecular Weight |
468.557
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N4O3/c1-32(20-21-9-5-3-6-10-21)28-30-19-25(26(31-28)22-13-15-23(34-2)16-14-22)27(33)29-17-18-35-24-11-7-4-8-12-24/h3-16,19H,17-18,20H2,1-2H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VONWTMXANUUAIX-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