General Information of the Compound
| Compound ID |
CP0460344
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-[[diethoxyphosphoryl-(4-methoxyphenyl)methyl]amino]phenyl]methyl]adamantane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H41N2O5P
|
||||||||||||||||||
| Molecular Weight |
540.641
|
||||||||||||||||||
| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41N2O5P/c1-4-36-38(34,37-5-2)28(25-8-12-27(35-3)13-9-25)32-26-10-6-21(7-11-26)20-31-29(33)30-17-22-14-23(18-30)16-24(15-22)19-30/h6-13,22-24,28,32H,4-5,14-20H2,1-3H3,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UGEYCPGXHCWNJE-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