General Information of the Compound
| Compound ID |
CP0466333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[[3-[3-(2-aminoethoxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C23H21ClN2O4
|
||||||||||||||||||
| Molecular Weight |
424.884
|
||||||||||||||||||
| Canonical SMILES |
NCCOc1cc(ccc1Cl)-c1cccc(c1)C(=O)Nc1ccccc1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21ClN2O4/c24-19-9-8-16(13-21(19)30-11-10-25)15-5-3-6-18(12-15)23(29)26-20-7-2-1-4-17(20)14-22(27)28/h1-9,12-13H,10-11,14,25H2,(H,26,29)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHNOCYSXOAXIMZ-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 | |||||||||||||||||||
| 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