General Information of the Compound
| Compound ID |
CP0373531
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6S,7R,8R,9S)-6-(3-(4-ethylbenzyl)-4-methylphenyl)-5-oxa-2-azaspiro[3.5]nonane-7,8,9-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29NO4
|
||||||||||||||||||
| Molecular Weight |
383.488
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CNC3)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29NO4/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)21-19(25)20(26)22(27)23(28-21)12-24-13-23/h4-9,11,19-22,24-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LOLWWXQQRJQJES-CZYKHXBRSA-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