General Information of the Compound
| Compound ID |
CP0966139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-methyl-4-(6-azaspiro[2.5]octane-6-carbonyl)-1H-1,2,3-triazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N7O2
|
||||||||||||||||||
| Molecular Weight |
353.386
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CC2)CC3)nnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N7O2/c1-11-13(15(26)22-9-6-17(4-5-17)7-10-22)19-21-24(11)16-18-14(25)12-3-2-8-23(12)20-16/h2-3,8H,4-7,9-10H2,1H3,(H,18,20,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
INRLWNFWULEZKQ-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