General Information of the Compound
| Compound ID |
CP0459002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[(1S,2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-7-yl]phenyl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27F7N2O4S
|
||||||||||||||||||
| Molecular Weight |
656.62
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2ccc(NS(C)(=O)=O)cc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27F7N2O4S/c1-17(20-11-22(30(33,34)35)15-23(12-20)31(36,37)38)44-27-16-40-26(29(27)19-3-7-24(32)8-4-19)13-21(14-28(40)41)18-5-9-25(10-6-18)39-45(2,42)43/h3-12,14-15,17,26-27,29,39H,13,16H2,1-2H3/t17-,26?,27+,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDALRJNIULBPSY-QGYSTOEISA-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