General Information of the Compound
| Compound ID |
CP0286878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-4-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30FN3O2
|
||||||||||||||||||
| Molecular Weight |
459.565
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C(N(C(=O)Cc1ccncc1)c1cccc(F)c1)C(=O)NC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30FN3O2/c1-20-8-5-6-13-25(20)27(28(34)31-23-10-3-2-4-11-23)32(24-12-7-9-22(29)19-24)26(33)18-21-14-16-30-17-15-21/h5-9,12-17,19,23,27H,2-4,10-11,18H2,1H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMNXDWVLNJJERQ-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000156 | HT-1080 | Homo sapiens (Human) | 1 |
| 1 |
GI50 > 20000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|