General Information of the Compound
| Compound ID |
CP0526708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3,5-dibromo-4-[(3,5-difluorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H21Br2F2NO3
|
||||||||||||||||||
| Molecular Weight |
617.284
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3)cc2)Cc2cc(F)cc(F)c2)c(Br)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H21Br2F2NO3/c29-25-12-19(14-27(34)35)13-26(30)28(25)33(17-20-10-21(31)15-22(32)11-20)16-18-6-8-24(9-7-18)36-23-4-2-1-3-5-23/h1-13,15H,14,16-17H2,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHQBVGUGVONUIH-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