General Information of the Compound
| Compound ID |
CP0391069
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H21NO5
|
||||||||||||||||||
| Molecular Weight |
451.478
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1c(OCC(=O)Nc2cccc3ccccc23)oc2ccccc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H21NO5/c1-32-20-15-13-19(14-16-20)26-27(31)22-10-4-5-12-24(22)34-28(26)33-17-25(30)29-23-11-6-8-18-7-2-3-9-21(18)23/h2-16H,17H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SXOSJLKWNDDRLF-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000036 | MDCK-II | Canis lupus familiaris (Dog) | 1 |
| 1 |
GI50 > 100000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|