General Information of the Compound
| Compound ID |
CP0440177
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]phenyl]methyl]phenyl]but-3-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37NO9S
|
||||||||||||||||||
| Molecular Weight |
563.669
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(O)c(cc1Cc1ccc(\C=C\CC(=O)NC(CO)(CO)CO)cc1)[C@@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37NO9S/c1-16-9-21(34)20(27-26(38)25(37)24(36)22(12-30)39-27)11-19(16)10-18-7-5-17(6-8-18)3-2-4-23(35)29-28(13-31,14-32)15-33/h2-3,5-9,11,22,24-27,30-34,36-38H,4,10,12-15H2,1H3,(H,29,35)/b3-2+/t22-,24-,25+,26-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAGGTDZMNGCBAU-VBTOMVMISA-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