General Information of the Compound
| Compound ID |
CP0947190
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3,3-difluoro-8-azabicyclo[3.2.1]octane-8-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18F2N6O2
|
||||||||||||||||||
| Molecular Weight |
388.378
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CC(F)(F)C3)cnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18F2N6O2/c1-10-13(16(28)25-11-4-5-12(25)8-18(19,20)7-11)9-21-26(10)17-22-15(27)14-3-2-6-24(14)23-17/h2-3,6,9,11-12H,4-5,7-8H2,1H3,(H,22,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACTSCKXLFLOAFY-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