General Information of the Compound
| Compound ID |
CP0437264
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(4aR)-6-(3,4-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H21F3N4O3S2
|
||||||||||||||||||
| Molecular Weight |
570.618
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnc(s1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H21F3N4O3S2/c1-16-13-31-26(38-16)25(35)27-12-17-14-32-34(20-4-2-19(28)3-5-20)24(17)10-18(27)8-9-33(15-27)39(36,37)21-6-7-22(29)23(30)11-21/h2-7,10-11,13-14H,8-9,12,15H2,1H3/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTFDREOWGVCAON-MHZLTWQESA-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