General Information of the Compound
| Compound ID |
CP0951346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-methyl-4-(4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N7O3
|
||||||||||||||||||
| Molecular Weight |
409.45
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCC(N3CCCC3=O)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N7O3/c1-13-15(12-21-27(13)20-22-18(29)16-4-2-9-26(16)23-20)19(30)24-10-6-14(7-11-24)25-8-3-5-17(25)28/h2,4,9,12,14H,3,5-8,10-11H2,1H3,(H,22,23,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFGCMEXFUQXAKA-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