General Information of the Compound
| Compound ID |
CP0434150
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4R,5S,6R)-2-(4-Chloro-3-((5-(2-(4-chlorophenyl)propan-2-yl)-1,3,4-thiadiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26Cl2N2O5S
|
||||||||||||||||||
| Molecular Weight |
525.454
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(c1nnc(Cc2cc(ccc2Cl)C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26Cl2N2O5S/c1-24(2,14-4-6-15(25)7-5-14)23-28-27-18(34-23)10-13-9-12(3-8-16(13)26)22-21(32)20(31)19(30)17(11-29)33-22/h3-9,17,19-22,29-32H,10-11H2,1-2H3/t17-,19-,20+,21-,22?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GEBAZWFFYRSICJ-JQQDRUSQSA-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