General Information of the Compound
| Compound ID |
CP0851030
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-(5-bromo-2-((5-methylisoxazol-3-yl)methoxy)phenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19BrN2O4
|
||||||||||||||||||
| Molecular Weight |
467.319
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(COc2ccc(Br)cc2-c2ccc(C)n2-c2cccc(C(=O)O)c2)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19BrN2O4/c1-14-6-8-21(26(14)19-5-3-4-16(11-19)23(27)28)20-12-17(24)7-9-22(20)29-13-18-10-15(2)30-25-18/h3-12H,13H2,1-2H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXIYYXKJCNNZNK-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