General Information of the Compound
| Compound ID |
CP0482385
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[[2-(2-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15F4N3O4
|
||||||||||||||||||
| Molecular Weight |
437.349
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C[C@H](NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15F4N3O4/c21-13-7-3-4-8-16(13)27-17(28)9-15(26-27)19(31)25-14(10-18(29)30)11-5-1-2-6-12(11)20(22,23)24/h1-9,14,26H,10H2,(H,25,31)(H,29,30)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXWWGITXGQDYPS-AWEZNQCLSA-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