General Information of the Compound
| Compound ID |
CP0549289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[6-cyclobutyl-4-[4-(1H-pyrazol-4-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35N7O2
|
||||||||||||||||||
| Molecular Weight |
537.668
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35N7O2/c1-20(2)34-29(39)19-40-26-8-3-5-22(15-26)30-36-28-13-14-38(25-6-4-7-25)18-27(28)31(37-30)35-24-11-9-21(10-12-24)23-16-32-33-17-23/h3,5,8-12,15-17,20,25H,4,6-7,13-14,18-19H2,1-2H3,(H,32,33)(H,34,39)(H,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGRMNQVNHGGSFN-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