General Information of the Compound
| Compound ID |
CP0481383
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4S,5S,6R)-2-[[4-[(2,4-dimethylphenyl)methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30N2O6
|
||||||||||||||||||
| Molecular Weight |
406.479
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(C)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30N2O6/c1-10(2)16-14(8-13-6-5-11(3)7-12(13)4)20(23-22-16)29-21-19(27)18(26)17(25)15(9-24)28-21/h5-7,10,15,17-19,21,24-27H,8-9H2,1-4H3,(H,22,23)/t15-,17-,18+,19-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDMDCYIKMZGDNP-UVPIGPOJSA-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: PT03888, Sodium/glucose cotransporter 1
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02832, Sodium/glucose cotransporter 2
Protein ID: PT02415, Sodium/glucose cotransporter 2