General Information of the Compound
| Compound ID |
CP0012961
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4,5,5-trimethyl-3-pyridin-4-yl-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N4
|
||||||||||||||||||
| Molecular Weight |
328.419
|
||||||||||||||||||
| Canonical SMILES |
CC1c2c(c(nn2CC1(C)C)-c1ccccc1C#N)-c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4/c1-14-20-18(15-8-10-23-11-9-15)19(24-25(20)13-21(14,2)3)17-7-5-4-6-16(17)12-22/h4-11,14H,13H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTRCSEWMUACLSF-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