General Information of the Compound
| Compound ID |
CP0558323
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-[(Z)-[1-(3-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16N2O6
|
||||||||||||||||||
| Molecular Weight |
416.389
|
||||||||||||||||||
| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cccc(c1)C(O)=O)c1cccc(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16N2O6/c1-13-19(21(26)25(24-13)17-7-3-6-16(11-17)23(29)30)12-18-8-9-20(31-18)14-4-2-5-15(10-14)22(27)28/h2-12H,1H3,(H,27,28)(H,29,30)/b19-12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAAVQKMLBJZFQN-UNOMPAQXSA-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