General Information of the Compound
| Compound ID |
CP0580196
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(4-methylbenzoyl)amino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16N4O5
|
||||||||||||||||||
| Molecular Weight |
380.36
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(cc1)[N+]([O-])=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16N4O5/c1-12-2-6-14(7-3-12)18(24)20-17-10-16(19(25)26)21-22(17)11-13-4-8-15(9-5-13)23(27)28/h2-10H,11H2,1H3,(H,20,24)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKGQOLYMQYEWNC-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