General Information of the Compound
| Compound ID |
CP0844485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptane-3-carbonyl)-1H-1,2,3-triazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15F3N8O2
|
||||||||||||||||||
| Molecular Weight |
408.344
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cn(-c2nn3cccc3c(=O)[nH]2)nn1)N1CC2CC(C1)N2CC(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15F3N8O2/c17-16(18,19)8-25-9-4-10(25)6-24(5-9)14(29)11-7-27(23-21-11)15-20-13(28)12-2-1-3-26(12)22-15/h1-3,7,9-10H,4-6,8H2,(H,20,22,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZCKUHRVHXPDAV-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