General Information of the Compound
| Compound ID |
CP0390804
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(4-hydroxypiperidin-1-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29F7N2O3
|
||||||||||||||||||
| Molecular Weight |
586.548
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)N2CCC(O)CC2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29F7N2O3/c1-16(18-10-19(28(31,32)33)12-20(11-18)29(34,35)36)41-25-15-38-24(27(25)17-2-4-21(30)5-3-17)13-22(14-26(38)40)37-8-6-23(39)7-9-37/h2-5,10-12,14,16,23-25,27,39H,6-9,13,15H2,1H3/t16-,24?,25+,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMQGHJWOPAPENX-SAYLLPIZSA-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