General Information of the Compound
| Compound ID |
CP0522274
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-acetamido-5-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22ClFN2O4
|
||||||||||||||||||
| Molecular Weight |
492.934
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1cc(cc(c1)-n1c(C)ccc1-c1cc(Cl)ccc1OCc1ccc(F)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22ClFN2O4/c1-16-3-9-25(31(16)23-12-19(27(33)34)11-22(14-23)30-17(2)32)24-13-20(28)6-10-26(24)35-15-18-4-7-21(29)8-5-18/h3-14H,15H2,1-2H3,(H,30,32)(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DRGLQEMUQLOGMT-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