General Information of the Compound
| Compound ID |
CP0772154
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-6-methyl-3-(1-(methylsulfonyl)piperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N6O2S
|
||||||||||||||||||
| Molecular Weight |
414.535
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N6O2S/c1-14-12-26-19(13-25(14)18-4-8-22-20-16(18)3-7-21-20)17(11-23-26)15-5-9-24(10-6-15)29(2,27)28/h3-4,7-8,11,14-15H,5-6,9-10,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUBCMYKDFDSVRG-CQSZACIVSA-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