General Information of the Compound
| Compound ID |
CP0956013
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(trans)-3-(4-(6-(1H-Pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)-3-(cyanomethyl)cyclobutane-1-carbonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C19H15N9
|
||||||||||||||||||
| Molecular Weight |
369.392
|
||||||||||||||||||
| Canonical SMILES |
N#CC[C@]1(n2cc(-c3nc(-c4cn[nH]c4)cn4nccc34)cn2)C[C@H](C#N)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15N9/c20-3-2-19(5-13(6-19)7-21)28-11-15(10-25-28)18-17-1-4-24-27(17)12-16(26-18)14-8-22-23-9-14/h1,4,8-13H,2,5-6H2,(H,22,23)/t13-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAOJZJBZTKOEDO-HJGJAMNPSA-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