General Information of the Compound
| Compound ID |
CP0468848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4R,5R,6S)-2-[(E)-(benzylhydrazinylidene)methyl]-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31ClN2O5
|
||||||||||||||||||
| Molecular Weight |
511.018
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\NCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31ClN2O5/c1-2-35-22-11-8-18(9-12-22)14-21-15-20(10-13-23(21)29)28-27(34)26(33)25(32)24(36-28)17-31-30-16-19-6-4-3-5-7-19/h3-13,15,17,24-28,30,32-34H,2,14,16H2,1H3/b31-17+/t24-,25-,26+,27-,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMJBKEWXYRNADR-SSMMPSIASA-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2