General Information of the Compound
| Compound ID |
CP0458746
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R,3S)-3-aminocyclohexyl]-2-phenylmethoxy-N-propan-2-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N2O2
|
||||||||||||||||||
| Molecular Weight |
366.505
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N([C@@H]1CCC[C@H](N)C1)C(=O)c1ccccc1OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N2O2/c1-17(2)25(20-12-8-11-19(24)15-20)23(26)21-13-6-7-14-22(21)27-16-18-9-4-3-5-10-18/h3-7,9-10,13-14,17,19-20H,8,11-12,15-16,24H2,1-2H3/t19-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIMBSBQMUNDJAS-VQTJNVASSA-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