General Information of the Compound
| Compound ID |
CP0458743
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S,3R)-3-aminocyclohexyl]-2-[(4-chlorophenyl)methoxy]-N-ethylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27ClN2O2
|
||||||||||||||||||
| Molecular Weight |
386.923
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@H]1CCC[C@@H](N)C1)C(=O)c1ccccc1OCc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27ClN2O2/c1-2-25(19-7-5-6-18(24)14-19)22(26)20-8-3-4-9-21(20)27-15-16-10-12-17(23)13-11-16/h3-4,8-13,18-19H,2,5-7,14-15,24H2,1H3/t18-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXCUMEVOECPFAM-MOPGFXCFSA-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