General Information of the Compound
| Compound ID |
CP0523450
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-amino-2-oxoethyl)-4-[4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenyl]butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H36N4O8
|
||||||||||||||||||
| Molecular Weight |
520.583
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NCC(N)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H36N4O8/c1-13(2)20-16(24(29-28-20)37-25-23(35)22(34)21(33)17(12-30)36-25)10-15-8-6-14(7-9-15)4-3-5-19(32)27-11-18(26)31/h6-9,13,17,21-23,25,30,33-35H,3-5,10-12H2,1-2H3,(H2,26,31)(H,27,32)(H,28,29)/t17-,21-,22+,23-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGCCMIWGTPJNRQ-ZJHKXHAFSA-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