General Information of the Compound
| Compound ID |
CP0397963
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2-Methoxy-ethyl)-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
Show/Hide
|
||||||||||||||||||
| Formula |
C25H32N2O5
|
||||||||||||||||||
| Molecular Weight |
440.54
|
||||||||||||||||||
| Canonical SMILES |
COCCNC(=O)O[C@H]1CC[C@@](CNC(=O)c2ccccc2OC)(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N2O5/c1-30-17-16-26-24(29)32-20-12-14-25(15-13-20,19-8-4-3-5-9-19)18-27-23(28)21-10-6-7-11-22(21)31-2/h3-11,20H,12-18H2,1-2H3,(H,26,29)(H,27,28)/t20-,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MELFLAYACWQVEH-WBANQOEISA-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 | |||||||||||||||||||
| 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