General Information of the Compound
| Compound ID |
CP0207318
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H28N2O7
|
||||||||||||||||||
| Molecular Weight |
408.451
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(O)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H28N2O7/c1-9(2)15-13(7-11-4-5-12(24)6-10(11)3)19(22-21-15)29-20-18(27)17(26)16(25)14(8-23)28-20/h4-6,9,14,16-18,20,23-27H,7-8H2,1-3H3,(H,21,22)/t14-,16-,17+,18-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVGZFGBLAOTZSN-NWDGLCLDSA-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