General Information of the Compound
| Compound ID |
CP0541250
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-amino-5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-methylbenzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22BrFN2O3
|
||||||||||||||||||
| Molecular Weight |
509.375
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1cc(N)c(C)c(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22BrFN2O3/c1-15-3-9-24(30(15)20-12-21(26(31)32)16(2)23(29)13-20)22-11-18(27)6-10-25(22)33-14-17-4-7-19(28)8-5-17/h3-13H,14,29H2,1-2H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPLZMQXKEWEXGM-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