General Information of the Compound
| Compound ID |
CP0564644
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-methyl-N-[(1R,3S)-3-[[5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]carbamoyl]cyclohexyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24F6N4O2
|
||||||||||||||||||
| Molecular Weight |
490.448
|
||||||||||||||||||
| Canonical SMILES |
CN([C@@H]1CCC[C@@H](C1)C(=O)Nc1c(C)ncn1CC(F)(F)F)C(=O)c1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24F6N4O2/c1-13-18(32(12-29-13)11-21(23,24)25)30-19(33)14-5-4-8-17(10-14)31(2)20(34)15-6-3-7-16(9-15)22(26,27)28/h3,6-7,9,12,14,17H,4-5,8,10-11H2,1-2H3,(H,30,33)/t14-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGZLHWGGUYHDAW-WMLDXEAASA-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