General Information of the Compound
| Compound ID |
CP0567272
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(4aR)-6-(3,4-dichlorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-(1,3-thiazol-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H19Cl2FN4O3S2
|
||||||||||||||||||
| Molecular Weight |
589.501
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H19Cl2FN4O3S2/c27-21-6-5-20(12-22(21)28)38(35,36)32-9-7-17-11-23-16(14-31-33(23)19-3-1-18(29)2-4-19)13-26(17,15-32)24(34)25-30-8-10-37-25/h1-6,8,10-12,14H,7,9,13,15H2/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AURKEGXHQRGHFD-SANMLTNESA-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