General Information of the Compound
| Compound ID |
CP0942373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-3-((4,4-difluoropiperidin-1-yl)methyl)-1-(2,6-dimethylphenyl)-N-(3-ethyl-5-(trifluoromethyl)phenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34F5N3O2
|
||||||||||||||||||
| Molecular Weight |
551.6
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(NC(=O)[C@]2(CN3CCC(F)(F)CC3)CN(c3c(C)cccc3C)C(=O)[C@H]2C)cc(C(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34F5N3O2/c1-5-21-13-22(29(32,33)34)15-23(14-21)35-26(39)27(16-36-11-9-28(30,31)10-12-36)17-37(25(38)20(27)4)24-18(2)7-6-8-19(24)3/h6-8,13-15,20H,5,9-12,16-17H2,1-4H3,(H,35,39)/t20-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYJSAUXYQIORFX-NFQMXDRXSA-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