General Information of the Compound
| Compound ID |
CP0963561
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-methyl-4-(3-(p-tolyloxy)-8-azabicyclo[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 |
C25H26N6O3
|
||||||||||||||||||
| Molecular Weight |
458.522
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(OC2CC3CCC(C2)N3C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N6O3/c1-15-5-9-19(10-6-15)34-20-12-17-7-8-18(13-20)30(17)24(33)21-14-26-31(16(21)2)25-27-23(32)22-4-3-11-29(22)28-25/h3-6,9-11,14,17-18,20H,7-8,12-13H2,1-2H3,(H,27,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QVCZIHURXKPWJZ-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