General Information of the Compound
| Compound ID |
CP0435455
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{[(2-methylphenyl)methyl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32N4O5
|
||||||||||||||||||
| Molecular Weight |
528.609
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccc2C)ncc1C(=O)NCCOc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32N4O5/c1-20-10-8-9-11-21(20)18-32-30-33-19-24(29(35)31-14-15-39-23-12-6-5-7-13-23)27(34-30)22-16-25(36-2)28(38-4)26(17-22)37-3/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,31,35)(H,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBOZUWKYQJFQMH-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