General Information of the Compound
| Compound ID |
CP0505359
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[3-(4-Benzyloxy-phenyl)-propyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23N7O2
|
||||||||||||||||||
| Molecular Weight |
465.517
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2n(CCCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23N7O2/c27-26-30-24-21(25-29-23(31-33(25)26)22-9-5-15-34-22)16-28-32(24)14-4-8-18-10-12-20(13-11-18)35-17-19-6-2-1-3-7-19/h1-3,5-7,9-13,15-16H,4,8,14,17H2,(H2,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMGPSJCSRZTJFV-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