General Information of the Compound
| Compound ID |
CP0073800
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-propan-2-ylphenyl) 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25ClN4O2
|
||||||||||||||||||
| Molecular Weight |
460.965
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc(Cl)nn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25ClN4O2/c1-17(2)19-8-11-22(12-9-19)33-26(32)15-10-21-16-23(20-6-4-18(3)5-7-20)31(30-21)25-14-13-24(27)28-29-25/h4-9,11-14,16-17H,10,15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QRHFTBCKZSVPIH-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