General Information of the Compound
| Compound ID |
CP0537756
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(7-bromo-2-methyl-3-phenylnaphthalene-1-carbonyl)amino]-3-fluorobenzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H17BrFNO3
|
||||||||||||||||||
| Molecular Weight |
478.317
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cc2ccc(Br)cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H17BrFNO3/c1-14-19(15-5-3-2-4-6-15)11-16-7-9-18(26)13-20(16)23(14)24(29)28-22-10-8-17(25(30)31)12-21(22)27/h2-13H,1H3,(H,28,29)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVPGOJGEXXHNML-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