General Information of the Compound
| Compound ID |
CP0873872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{[6-(4-Chlorophenyl)-1-benzofuran-2-yl]carbonyl}-O-(4-methylbenzyl)tyrosine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H26ClNO5
|
||||||||||||||||||
| Molecular Weight |
540.015
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(COc2ccc(CC(NC(=O)c3cc4ccc(-c5ccc(Cl)cc5)cc4o3)C(=O)O)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H26ClNO5/c1-20-2-4-22(5-3-20)19-38-27-14-6-21(7-15-27)16-28(32(36)37)34-31(35)30-18-25-9-8-24(17-29(25)39-30)23-10-12-26(33)13-11-23/h2-15,17-18,28H,16,19H2,1H3,(H,34,35)(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKUKYYHPWKBROO-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