General Information of the Compound
| Compound ID |
CP0486573
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614195, 4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27Na2O10P
|
||||||||||||||||||
| Molecular Weight |
540.413
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1Cc1ccc2OCCOc2c1)[C@@H]1O[C@H](COP(=O)(O[Na])O[Na])[C@@H](O)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29O10P.2Na/c1-2-14-4-5-15(11-16(14)9-13-3-6-17-18(10-13)31-8-7-30-17)23-22(26)21(25)20(24)19(33-23)12-32-34(27,28)29;;/h3-6,10-11,19-26H,2,7-9,12H2,1H3,(H2,27,28,29);;/q;2*+1/p-2/t19-,20-,21+,22-,23+;;/m1../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
URUKGDLVCHHWMZ-OFCBWIOUSA-L
|
||||||||||||||||||
| 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