General Information of the Compound
| Compound ID |
CP0365951
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S)-1-[(1S,2R,4R)-2-(methanesulfonamido)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H33F3N4O4S
|
||||||||||||||||||
| Molecular Weight |
518.602
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NS(C)(=O)=O)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H33F3N4O4S/c1-14(2)29(3)17-8-9-20(19(13-17)28-35(4,33)34)30-11-10-18(22(30)32)27-21(31)15-6-5-7-16(12-15)23(24,25)26/h5-7,12,14,17-20,28H,8-11,13H2,1-4H3,(H,27,31)/t17-,18+,19-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCGHNEUWTNNXMF-WCIQWLHISA-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