General Information of the Compound
| Compound ID |
CP0447577
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-3-[5-[(2-bromo-4,5-dimethoxyphenoxy)methyl]-2-chlorophenoxy]-1-methylpyrrolidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23BrClNO4
|
||||||||||||||||||
| Molecular Weight |
456.764
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Br)c(OCc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23BrClNO4/c1-23-7-6-14(11-23)27-18-8-13(4-5-16(18)22)12-26-17-10-20(25-3)19(24-2)9-15(17)21/h4-5,8-10,14H,6-7,11-12H2,1-3H3/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXMUIOVTYHFCKL-CQSZACIVSA-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