General Information of the Compound
| Compound ID |
CP0439280
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22N6OS
|
||||||||||||||||||
| Molecular Weight |
454.559
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(C)c1-c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22N6OS/c1-15-14-18(23-16(2)29-32-17(23)3)4-5-21(15)30-11-7-19-22(6-9-26-24(19)30)31-12-8-20(28-31)25-27-10-13-33-25/h4-6,8-10,12-14H,7,11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GWQZJLMAYGIWEE-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