General Information of the Compound
| Compound ID |
CP0571546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-8-[2-[4-[2,3-difluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29F2N7O4
|
||||||||||||||||||
| Molecular Weight |
541.559
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1ccc(N2CCN(CCn3c4nc(N)nc(-c5ccc(C)o5)c4ncc3=O)CC2)c(F)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29F2N7O4/c1-16-3-5-19(39-16)23-24-25(32-26(29)31-23)35(20(36)15-30-24)12-9-33-7-10-34(11-8-33)17-4-6-18(22(28)21(17)27)38-14-13-37-2/h3-6,15H,7-14H2,1-2H3,(H2,29,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCTRWGZWJUJBDK-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