General Information of the Compound
| Compound ID |
CP0528143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-acetamido-5-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H21BrF2N2O4
|
||||||||||||||||||
| Molecular Weight |
555.375
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ccc(cc1C(O)=O)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H21BrF2N2O4/c1-15-3-9-25(32(15)20-7-8-24(31-16(2)33)21(13-20)27(34)35)22-11-18(28)5-10-26(22)36-14-17-4-6-19(29)12-23(17)30/h3-13H,14H2,1-2H3,(H,31,33)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALQXIMZVQPKRND-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