General Information of the Compound
| Compound ID |
CP0538799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-(5-methylfuran-2-yl)-8-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]ethyl]pteridin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N7O3
|
||||||||||||||||||
| Molecular Weight |
515.496
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)nc2n(CCN3CCN(CC3)c3ccc(OC(F)(F)F)cc3)c(=O)cnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N7O3/c1-15-2-7-18(36-15)20-21-22(31-23(28)30-20)34(19(35)14-29-21)13-10-32-8-11-33(12-9-32)16-3-5-17(6-4-16)37-24(25,26)27/h2-7,14H,8-13H2,1H3,(H2,28,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQPOSZVIQBIWSZ-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 | |||||||||||||||||||
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