General Information of the Compound
| Compound ID |
CP0762917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(4-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperazin-1-yl)thiazol-4-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21N9O2S
|
||||||||||||||||||
| Molecular Weight |
511.571
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCN(c3nc(-c4ccccc4C#N)cs3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21N9O2S/c1-16-19(14-27-34(16)24-29-22(35)21-7-4-8-33(21)30-24)23(36)31-9-11-32(12-10-31)25-28-20(15-37-25)18-6-3-2-5-17(18)13-26/h2-8,14-15H,9-12H2,1H3,(H,29,30,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSSNBNIWMVLQHE-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