General Information of the Compound
| Compound ID |
CP0389347
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[3-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]propyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H40N2O10
|
||||||||||||||||||
| Molecular Weight |
564.632
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(O)c(cc1Cc1ccc(CCCNC(=O)NC(CO)(CO)CO)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H40N2O10/c1-16-9-21(35)20(26-25(38)24(37)23(36)22(12-31)40-26)11-19(16)10-18-6-4-17(5-7-18)3-2-8-29-27(39)30-28(13-32,14-33)15-34/h4-7,9,11,22-26,31-38H,2-3,8,10,12-15H2,1H3,(H2,29,30,39)/t22-,23-,24+,25-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQRGGLIQNKCXJK-RTJMFUJLSA-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