General Information of the Compound
| Compound ID |
CP0488122
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-2-[4-(3,4-dihydro-2H-thiochromen-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-fluoro-2,3-dihydro-1H-inden-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24FNOS
|
||||||||||||||||||
| Molecular Weight |
381.516
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(=CC1)c1cccc2CCCSc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24FNOS/c24-18-6-7-19-17(13-18)14-21(22(19)26)25-10-8-15(9-11-25)20-5-1-3-16-4-2-12-27-23(16)20/h1,3,5-8,13,21-22,26H,2,4,9-12,14H2/t21-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDPRQQOVVMNYFR-FGZHOGPDSA-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