General Information of the Compound
| Compound ID |
CP0380689
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 1-dibenzofuran-3-yl-5-[(1S,2S,3S)-1,2,3-trihydroxybutyl]triazole-4-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N3O6
|
||||||||||||||||||
| Molecular Weight |
411.414
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1nnn(c1[C@H](O)[C@@H](O)[C@H](C)O)-c1ccc2c(c1)oc1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O6/c1-3-29-21(28)17-18(20(27)19(26)11(2)25)24(23-22-17)12-8-9-14-13-6-4-5-7-15(13)30-16(14)10-12/h4-11,19-20,25-27H,3H2,1-2H3/t11-,19-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQQDMBSDXXVTFN-JSKJEHKMSA-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