General Information of the Compound
| Compound ID |
CP0878647
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-tert-butyl-2-[3-[6-(2-fluoro-1-methylethyl)-4-[4-(1H-pyrazol-4-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenoxy]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36FN7O2
|
||||||||||||||||||
| Molecular Weight |
557.674
|
||||||||||||||||||
| Canonical SMILES |
CC(CF)N1CCc2nc(-c3cccc(OCC(=O)NC(C)(C)C)c3)nc(Nc3ccc(-c4cn[nH]c4)cc3)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36FN7O2/c1-20(15-32)39-13-12-27-26(18-39)30(35-24-10-8-21(9-11-24)23-16-33-34-17-23)37-29(36-27)22-6-5-7-25(14-22)41-19-28(40)38-31(2,3)4/h5-11,14,16-17,20H,12-13,15,18-19H2,1-4H3,(H,33,34)(H,38,40)(H,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMCZNBOAFMMRKB-UHFFFAOYSA-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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Protein ID: PT06387, Solute carrier family 2, facilitated glucose transporter member 3