General Information of the Compound
| Compound ID |
CP0378847
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxypyridin-1-yl)phenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31N3O4
|
||||||||||||||||||
| Molecular Weight |
449.551
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCN(C(=O)OC)c1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31N3O4/c1-4-27(5-2)17-18-29(26(31)32-3)23-13-11-22(12-14-23)28-16-15-24(19-25(28)30)33-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLBBAYRFUOMWOT-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