General Information of the Compound
| Compound ID |
CP0899867
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{[6-(4-Chlorophenyl)-1-benzofuran-2-yl]carbonyl}-O-(3-fluorobenzyl)tyrosine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H23ClFNO5
|
||||||||||||||||||
| Molecular Weight |
543.978
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)O)c1cc2ccc(-c3ccc(Cl)cc3)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H23ClFNO5/c32-24-10-8-21(9-11-24)22-6-7-23-17-29(39-28(23)16-22)30(35)34-27(31(36)37)15-19-4-12-26(13-5-19)38-18-20-2-1-3-25(33)14-20/h1-14,16-17,27H,15,18H2,(H,34,35)(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRNUWJSECRXGKP-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