General Information of the Compound
| Compound ID |
CP0570337
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((1s,3r)-3-Methoxy-1-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)cyclobutyl)acetonitrile (cis isomer)
Show/Hide
|
||||||||||||||||||
| Formula |
C20H20N8O
|
||||||||||||||||||
| Molecular Weight |
388.435
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3/t16-,20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYWKECFAYKXBQW-MOBUCQHHSA-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 | |||||||||||||||||||
| 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