General Information of the Compound
| Compound ID |
CP0823466
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-acetyl-4-phenylpiperidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N6O3
|
||||||||||||||||||
| Molecular Weight |
444.495
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)C1(c2ccccc2)CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N6O3/c1-16-19(15-25-30(16)23-26-21(32)20-9-6-12-29(20)27-23)22(33)28-13-10-24(11-14-28,17(2)31)18-7-4-3-5-8-18/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,26,27,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YFVWUMLQNXAMDF-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