General Information of the Compound
| Compound ID |
CP0087655
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[[1-(2-fluorophenyl)-5-methoxypyrazole-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20FN3O4
|
||||||||||||||||||
| Molecular Weight |
397.406
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20FN3O4/c1-13-7-3-4-8-14(13)16(12-20(26)27)23-21(28)17-11-19(29-2)25(24-17)18-10-6-5-9-15(18)22/h3-11,16H,12H2,1-2H3,(H,23,28)(H,26,27)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQQTYVIPHKLYFS-INIZCTEOSA-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