General Information of the Compound
| Compound ID |
CP0869148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxo-N-(3-(trifluoromethyl)-5-((2-(trifluoromethyl)pyrrolidin-1-yl)methyl)phenyl)pyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33F6N3O2
|
||||||||||||||||||
| Molecular Weight |
569.59
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@]1(C(=O)Nc2cc(CN3CCCC3C(F)(F)F)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33F6N3O2/c1-5-27(16-38(25(39)19(27)4)24-17(2)8-6-9-18(24)3)26(40)36-22-13-20(12-21(14-22)28(30,31)32)15-37-11-7-10-23(37)29(33,34)35/h6,8-9,12-14,19,23H,5,7,10-11,15-16H2,1-4H3,(H,36,40)/t19-,23?,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXVNNKUNPPJLND-XODLJYGDSA-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