General Information of the Compound
| Compound ID |
CP0552513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 8-(3,4-dichlorophenyl)-7-hydroxy-8-azabicyclo[3.2.1]octane-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C15H17Cl2NO3
|
||||||||||||||||||
| Molecular Weight |
330.211
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1CCC2CC(O)C1N2c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17Cl2NO3/c1-21-15(20)10-4-2-9-7-13(19)14(10)18(9)8-3-5-11(16)12(17)6-8/h3,5-6,9-10,13-14,19H,2,4,7H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PINLVKIYQOFNGC-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 | |||||||||||||||||||
| 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