General Information of the Compound
| Compound ID |
CP0947249
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-methyl-4-(3-(pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N8O2
|
||||||||||||||||||
| Molecular Weight |
430.472
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CN(c2ccccn2)C3)cnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N8O2/c1-14-17(11-24-30(14)22-25-20(31)18-5-4-10-28(18)26-22)21(32)29-15-7-8-16(29)13-27(12-15)19-6-2-3-9-23-19/h2-6,9-11,15-16H,7-8,12-13H2,1H3,(H,25,26,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOUCGANZSMRZAT-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