General Information of the Compound
| Compound ID |
CP0428914
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4S,5R)-2-(4-Chloro-3-(4-((S)-1-methylpyrrolidin-3-yloxy)benzyl)phenyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30ClNO6
|
||||||||||||||||||
| Molecular Weight |
463.958
|
||||||||||||||||||
| Canonical SMILES |
COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCN(C)C3)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30ClNO6/c1-26-10-9-18(13-26)31-17-6-3-14(4-7-17)11-16-12-15(5-8-19(16)25)23-21(28)20(27)22(29)24(30-2)32-23/h3-8,12,18,20-24,27-29H,9-11,13H2,1-2H3/t18-,20+,21+,22-,23-,24?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSIZXWXUMBOCLV-OTYNPTLCSA-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