General Information of the Compound
| Compound ID |
CP0552630
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(4Z)-4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H13BrClN3O6
|
||||||||||||||||||
| Molecular Weight |
530.718
|
||||||||||||||||||
| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1Br)[N+]([O-])=O)c1ccc(Cl)c(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H13BrClN3O6/c1-11-16(21(28)26(25-11)12-3-6-19(24)17(8-12)22(29)30)10-14-4-7-20(33-14)15-5-2-13(27(31)32)9-18(15)23/h2-10H,1H3,(H,29,30)/b16-10-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NHDGOXPLUUEQQL-YBEGLDIGSA-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