General Information of the Compound
| Compound ID |
CP0557070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10729691, Example 12
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N6O3
|
||||||||||||||||||
| Molecular Weight |
482.544
|
||||||||||||||||||
| Canonical SMILES |
O=C(COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)NC1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N6O3/c34-25(30-20-4-2-5-20)16-36-22-6-1-3-18(11-22)26-32-24-15-35-14-23(24)27(33-26)31-21-9-7-17(8-10-21)19-12-28-29-13-19/h1,3,6-13,20H,2,4-5,14-16H2,(H,28,29)(H,30,34)(H,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FEPKAPZLLAGREI-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