General Information of the Compound
| Compound ID |
CP0943576
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4S)-N-(3-cyano-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxopyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N3O2
|
||||||||||||||||||
| Molecular Weight |
443.469
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@]1(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N3O2/c1-5-23(13-30(21(31)16(23)4)20-14(2)7-6-8-15(20)3)22(32)29-19-10-17(12-28)9-18(11-19)24(25,26)27/h6-11,16H,5,13H2,1-4H3,(H,29,32)/t16-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCTZVSPNSVPKQO-WAIKUNEKSA-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