General Information of the Compound
| Compound ID |
CP0352071
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-azido-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C14H9N5O3
|
||||||||||||||||||
| Molecular Weight |
295.258
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(cc1N=[N+]=[N-])-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H9N5O3/c15-18-16-13-8-11(12-2-1-7-22-12)17-19(13)10-5-3-9(4-6-10)14(20)21/h1-8H,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWYATBUXLGWSNP-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