General Information of the Compound
| Compound ID |
CP0420730
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(4-bromophenyl)methoxy]-N-[2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23BrN2O4
|
||||||||||||||||||
| Molecular Weight |
531.406
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(CCNC(=O)c2cc(=O)c3c(OCc4ccc(Br)cc4)cccc3o2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23BrN2O4/c1-31-16-19(21-5-2-3-6-22(21)31)13-14-30-28(33)26-15-23(32)27-24(7-4-8-25(27)35-26)34-17-18-9-11-20(29)12-10-18/h2-12,15-16H,13-14,17H2,1H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUTDVNWSRCEZBF-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2