General Information of the Compound
| Compound ID |
CP0514140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-[[5-[(2S,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-2-methylphenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33FN2O6S
|
||||||||||||||||||
| Molecular Weight |
520.623
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(O)c(cc1Cc1cc2CN(CCc2s1)C(=O)N1CCCC1)[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33FN2O6S/c1-14-8-19(31)18(25-24(33)23(32)22(27)20(13-30)35-25)11-15(14)9-17-10-16-12-29(7-4-21(16)36-17)26(34)28-5-2-3-6-28/h8,10-11,20,22-25,30-33H,2-7,9,12-13H2,1H3/t20-,22-,23+,24-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARQIZUIFNYWJJU-HFBCXCLPSA-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