General Information of the Compound
| Compound ID |
CP0103561
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{3-[1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl]propanamido}benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16N4O4
|
||||||||||||||||||
| Molecular Weight |
352.35
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccc(O)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h1-4,6-7,9-11,23H,5,8H2,(H,20,24)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLXBCICQWMMKFY-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 | |||||||||||||||||||
| 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