General Information of the Compound
| Compound ID |
CP0426828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylmethyl]-2-chlorophenoxy]-1-methylpyrrolidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23BrClNO5S
|
||||||||||||||||||
| Molecular Weight |
504.83
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Br)c(cc1OC)S(=O)(=O)Cc1ccc(Cl)c(O[C@H]2CCN(C)C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23BrClNO5S/c1-23-7-6-14(11-23)28-17-8-13(4-5-16(17)22)12-29(24,25)20-10-19(27-3)18(26-2)9-15(20)21/h4-5,8-10,14H,6-7,11-12H2,1-3H3/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDTZEZIBBCCXPG-AWEZNQCLSA-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