General Information of the Compound
| Compound ID |
CP0057374
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33FN4O2
|
||||||||||||||||||
| Molecular Weight |
512.629
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccccc2n1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33FN4O2/c1-21-11-6-7-16-26(21)30(31(38)34-24-13-4-3-5-14-24)36(25-15-10-12-23(32)19-25)29(37)20-35-22(2)33-27-17-8-9-18-28(27)35/h6-12,15-19,24,30H,3-5,13-14,20H2,1-2H3,(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGBXSUVTQOBSQO-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic