General Information of the Compound
| Compound ID |
CP0577183
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H21N3O4
|
||||||||||||||||||
| Molecular Weight |
451.482
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)c(C)n1-c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H21N3O4/c1-16-13-20(17(2)30(16)21-10-7-19(8-11-21)27(32)33)15-28-29-26(31)25-14-23-22-6-4-3-5-18(22)9-12-24(23)34-25/h3-15H,1-2H3,(H,29,31)(H,32,33)/b28-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEHCJXXXQGBSHB-RWPZCVJISA-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 | |||||||||||||||||||
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