General Information of the Compound
| Compound ID |
CP0008099
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-chloropyridin-4-yl)-4,5,5-trimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN4
|
||||||||||||||||||
| Molecular Weight |
352.869
|
||||||||||||||||||
| Canonical SMILES |
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClN4/c1-12-6-5-7-15(23-12)18-17(14-8-9-22-16(21)10-14)19-13(2)20(3,4)11-25(19)24-18/h5-10,13H,11H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCMSASXVEFDJKB-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
Protein ID: PT01221, TGF-beta receptor type-1
Protein ID: PT03338, Tyrosine-protein kinase ABL1