General Information of the Compound
| Compound ID |
CP0909314
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(8-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22N8O2
|
||||||||||||||||||
| Molecular Weight |
454.494
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CN(c2ccc(C#N)cc2)C3)cnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22N8O2/c1-15-20(12-26-32(15)24-27-22(33)21-3-2-10-30(21)28-24)23(34)31-18-8-9-19(31)14-29(13-18)17-6-4-16(11-25)5-7-17/h2-7,10,12,18-19H,8-9,13-14H2,1H3,(H,27,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDBSZOYAMOBJNV-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