General Information of the Compound
| Compound ID |
CP0953081
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,5-bis(trifluoromethyl)phenyl)-3-methyl-5-oxo-1-o-tolylpyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18F6N2O2
|
||||||||||||||||||
| Molecular Weight |
444.375
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1N1CC(C)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18F6N2O2/c1-12-5-3-4-6-16(12)29-11-19(2,10-17(29)30)18(31)28-15-8-13(20(22,23)24)7-14(9-15)21(25,26)27/h3-9H,10-11H2,1-2H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWCVCEGIVOODDO-UHFFFAOYSA-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