General Information of the Compound
| Compound ID |
CP0564988
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2′-(3-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)azetidine-1,3-diyl)diacetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N10
|
||||||||||||||||||
| Molecular Weight |
398.434
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC#N)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N10/c1-27-10-15(8-24-27)17-12-29-18(2-6-23-29)19(26-17)16-9-25-30(11-16)20(3-4-21)13-28(14-20)7-5-22/h2,6,8-12H,3,7,13-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEJGQLBINOBMRS-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