General Information of the Compound
| Compound ID |
CP0966138
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S)-2-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-2-azabicyclo[2.2.1]heptane-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17N7O2
|
||||||||||||||||||
| Molecular Weight |
363.381
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CC3CC2C[C@@H]3C#N)cnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17N7O2/c1-10-14(17(27)23-9-12-6-13(23)5-11(12)7-19)8-20-25(10)18-21-16(26)15-3-2-4-24(15)22-18/h2-4,8,11-13H,5-6,9H2,1H3,(H,21,22,26)/t11-,12?,13?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSAMVJPNOIJLLJ-PNESKVBLSA-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