General Information of the Compound
| Compound ID |
CP0497420
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-chloro-6-(2-hydroxy-3-(methyl(2-methyl-1-(naphthalen-2-yl)propan-2-yl)amino)propoxy)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27ClN2O2
|
||||||||||||||||||
| Molecular Weight |
422.956
|
||||||||||||||||||
| Canonical SMILES |
CN(C[C@@H](O)COc1cccc(Cl)c1C#N)C(C)(C)Cc1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27ClN2O2/c1-25(2,14-18-11-12-19-7-4-5-8-20(19)13-18)28(3)16-21(29)17-30-24-10-6-9-23(26)22(24)15-27/h4-13,21,29H,14,16-17H2,1-3H3/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONQBSDHBBICEQE-OAQYLSRUSA-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