General Information of the Compound
| Compound ID |
CP0745023
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-methyl-4-(4-(5-(4-(trifluoromethyl)phenyl)oxazol-2-yl)piperazine-1-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21F3N8O3
|
||||||||||||||||||
| Molecular Weight |
538.49
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCN(c3ncc(-c4ccc(C(F)(F)F)cc4)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21F3N8O3/c1-15-18(13-30-36(15)23-31-21(37)19-3-2-8-35(19)32-23)22(38)33-9-11-34(12-10-33)24-29-14-20(39-24)16-4-6-17(7-5-16)25(26,27)28/h2-8,13-14H,9-12H2,1H3,(H,31,32,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEDCZUNGMOISOR-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