General Information of the Compound
| Compound ID |
CP0070647
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27FN2O2S
|
||||||||||||||||||
| Molecular Weight |
450.579
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C(N(C(=O)Cc1cccs1)c1cccc(F)c1)C(=O)NC1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27FN2O2S/c1-18-8-2-5-14-23(18)25(26(31)28-20-10-3-4-11-20)29(21-12-6-9-19(27)16-21)24(30)17-22-13-7-15-32-22/h2,5-9,12-16,20,25H,3-4,10-11,17H2,1H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FMROPZMGAOICAF-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