General Information of the Compound
| Compound ID |
CP0531226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[1-(2-morpholin-4-ylethyl)triazol-4-yl]-2-propanoylphenyl]-4-oxochromene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C27H27N5O5
|
||||||||||||||||||
| Molecular Weight |
501.543
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)c1ccc(cc1NC(=O)c1cc(=O)c2ccccc2o1)-c1cn(CCN2CCOCC2)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27N5O5/c1-2-23(33)19-8-7-18(22-17-32(30-29-22)10-9-31-11-13-36-14-12-31)15-21(19)28-27(35)26-16-24(34)20-5-3-4-6-25(20)37-26/h3-8,15-17H,2,9-14H2,1H3,(H,28,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKFDXZRHUWJITL-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2