General Information of the Compound
| Compound ID |
CP0547791
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-3-[2-[4-(4-cyclopropyloxyphenyl)piperazin-1-yl]ethyl]-8-(furan-2-yl)-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N9O3
|
||||||||||||||||||
| Molecular Weight |
515.578
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(OC3CC3)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N9O3/c1-31-21-23(29-25(27)35-24(21)28-22(30-35)20-3-2-16-37-20)34(26(31)36)15-12-32-10-13-33(14-11-32)17-4-6-18(7-5-17)38-19-8-9-19/h2-7,16,19H,8-15H2,1H3,(H2,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSELQYYUAIUYPA-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