General Information of the Compound
| Compound ID |
CP0559384
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-3-[2-[4-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)piperazin-1-yl]ethyl]-8-(furan-2-yl)-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25FN10O3
|
||||||||||||||||||
| Molecular Weight |
532.54
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2cc(N3CCN(CCn4c5nc(N)n6nc(nc6c5n(C)c4=O)-c4ccco4)CC3)c(F)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25FN10O3/c1-14-28-16-13-17(15(26)12-19(16)39-14)34-8-5-33(6-9-34)7-10-35-22-20(32(2)25(35)37)23-29-21(18-4-3-11-38-18)31-36(23)24(27)30-22/h3-4,11-13H,5-10H2,1-2H3,(H2,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZAQUZWWTITTFO-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