General Information of the Compound
| Compound ID |
CP0452238
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[4-[(4-phenylmethoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25F3N2O7
|
||||||||||||||||||
| Molecular Weight |
510.465
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2[nH]nc(c2Cc2ccc(OCc3ccccc3)cc2)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25F3N2O7/c25-24(26,27)21-16(10-13-6-8-15(9-7-13)34-12-14-4-2-1-3-5-14)22(29-28-21)36-23-20(33)19(32)18(31)17(11-30)35-23/h1-9,17-20,23,30-33H,10-12H2,(H,28,29)/t17-,18-,19+,20-,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZUKKHAOFDDMDG-MZSWFSNMSA-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