General Information of the Compound
| Compound ID |
CP0427628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-5-(2-oxopiperidin-1-yl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H25BrF2N2O4
|
||||||||||||||||||
| Molecular Weight |
595.44
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cc(cc(c1)C(O)=O)N1CCCCC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H25BrF2N2O4/c1-18-5-9-27(25-14-21(31)7-10-28(25)39-17-19-6-8-22(32)15-26(19)33)35(18)24-13-20(30(37)38)12-23(16-24)34-11-3-2-4-29(34)36/h5-10,12-16H,2-4,11,17H2,1H3,(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTDJWTAJFJBKPQ-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