General Information of the Compound
| Compound ID |
CP0558094
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(4-methylbenzoyl)amino]-5-(1H-pyrazol-5-yl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C18H15N3O3
|
||||||||||||||||||
| Molecular Weight |
321.336
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1cc(cc(c1)-c1cc[nH]n1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15N3O3/c1-11-2-4-12(5-3-11)17(22)20-15-9-13(16-6-7-19-21-16)8-14(10-15)18(23)24/h2-10H,1H3,(H,19,21)(H,20,22)(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVTUKRKUQKPIDJ-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 | |||||||||||||||||||
| 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