General Information of the Compound
| Compound ID |
CP0745045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-(4-(octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N7O2
|
||||||||||||||||||
| Molecular Weight |
353.386
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCN2CCC[C@@H]2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N7O2/c25-15-14-4-2-6-23(14)20-17(19-15)24-10-12(9-18-24)16(26)22-8-7-21-5-1-3-13(21)11-22/h2,4,6,9-10,13H,1,3,5,7-8,11H2,(H,19,20,25)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNDLCVWOBHWRLU-CYBMUJFWSA-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