General Information of the Compound
| Compound ID |
CP0479084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-tert-butyl-2-[3-[6-ethyl-4-[4-(1H-pyrazol-4-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenoxy]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35N7O2
|
||||||||||||||||||
| Molecular Weight |
525.657
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N7O2/c1-5-37-14-13-26-25(18-37)29(33-23-11-9-20(10-12-23)22-16-31-32-17-22)35-28(34-26)21-7-6-8-24(15-21)39-19-27(38)36-30(2,3)4/h6-12,15-17H,5,13-14,18-19H2,1-4H3,(H,31,32)(H,36,38)(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZMMKRMOPDLTMJP-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