General Information of the Compound
| Compound ID |
CP0883883
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyrazol-1-yl]-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15F3N6O2
|
||||||||||||||||||
| Molecular Weight |
380.33
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC(C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15F3N6O2/c17-16(18,19)11-3-6-23(7-4-11)14(27)10-8-20-25(9-10)15-21-13(26)12-2-1-5-24(12)22-15/h1-2,5,8-9,11H,3-4,6-7H2,(H,21,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYGKMLPLADYTJA-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