General Information of the Compound
| Compound ID |
CP0966141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-fluoro-3-(trifluoromethyl)-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 |
C18H17F4N7O2
|
||||||||||||||||||
| Molecular Weight |
439.373
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CC(N3CC(F)(C(F)(F)F)C3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17F4N7O2/c1-10-12(5-23-29(10)16-24-14(30)13-3-2-4-28(13)25-16)15(31)26-6-11(7-26)27-8-17(19,9-27)18(20,21)22/h2-5,11H,6-9H2,1H3,(H,24,25,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMFROYFWDWKJGB-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