General Information of the Compound
| Compound ID |
CP0542972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15N5O2
|
||||||||||||||||||
| Molecular Weight |
333.351
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)nc2n(Cc3ccccc3)c(=O)cnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15N5O2/c1-11-7-8-13(25-11)15-16-17(22-18(19)21-15)23(14(24)9-20-16)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,19,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHYXCTKKSFTXSV-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