General Information of the Compound
| Compound ID |
CP0958624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-N-(3-cyano-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31F3N4O2
|
||||||||||||||||||
| Molecular Weight |
512.576
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCCCC2)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31F3N4O2/c1-18-8-7-9-19(2)24(18)35-17-27(20(3)25(35)36,16-34-10-5-4-6-11-34)26(37)33-23-13-21(15-32)12-22(14-23)28(29,30)31/h7-9,12-14,20H,4-6,10-11,16-17H2,1-3H3,(H,33,37)/t20-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WETYOINQQYDYLD-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