General Information of the Compound
| Compound ID |
CP0238173
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6R)-6-(3-fluorophenyl)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27F2NO3
|
||||||||||||||||||
| Molecular Weight |
451.513
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1cccc(F)c1)c1ccc(cc1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27F2NO3/c1-19(20-6-8-21(9-7-20)22-10-12-24(28)13-11-22)30-16-15-27(14-3-17-31,33-26(30)32)23-4-2-5-25(29)18-23/h2,4-13,18-19,31H,3,14-17H2,1H3/t19-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYERBRGKZKGLIN-UZTOHYMASA-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