General Information of the Compound
| Compound ID |
CP0575592
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(4-acetylbenzoyl)amino]-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16FN3O4
|
||||||||||||||||||
| Molecular Weight |
381.363
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(F)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16FN3O4/c1-12(25)14-4-6-15(7-5-14)19(26)22-18-10-17(20(27)28)23-24(18)11-13-2-8-16(21)9-3-13/h2-10H,11H2,1H3,(H,22,26)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTFLZVSCOJGXCT-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 | |||||||||||||||||||
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