General Information of the Compound
| Compound ID |
CP0969863
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-(2-(2-fluorophenyl)acetyl)piperazine-1-carbonyl)-5-methyl-1H-1,2,3-triazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21FN8O3
|
||||||||||||||||||
| Molecular Weight |
464.461
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)nnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21FN8O3/c1-14-19(25-27-31(14)22-24-20(33)17-7-4-8-30(17)26-22)21(34)29-11-9-28(10-12-29)18(32)13-15-5-2-3-6-16(15)23/h2-8H,9-13H2,1H3,(H,24,26,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFWCRSXUBMCYOY-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