General Information of the Compound
| Compound ID |
CP0962074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(1,3'-biazetidine-1'-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N7O2
|
||||||||||||||||||
| Molecular Weight |
353.386
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CC(N3CCC3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N7O2/c1-11-13(16(26)22-9-12(10-22)21-5-3-6-21)8-18-24(11)17-19-15(25)14-4-2-7-23(14)20-17/h2,4,7-8,12H,3,5-6,9-10H2,1H3,(H,19,20,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHUJRSLLSKBWBT-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