General Information of the Compound
| Compound ID |
CP0482226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[2-[4-[[benzyl-[[1-[2-(4-oxo-2-phenylchromen-7-yl)oxyethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]-2-phenylchromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C47H39N7O6
|
||||||||||||||||||
| Molecular Weight |
797.872
|
||||||||||||||||||
| Canonical SMILES |
O=c1cc(oc2cc(OCCn3cc(CN(Cc4cn(CCOc5ccc6c(c5)oc(cc6=O)-c5ccccc5)nn4)Cc4ccccc4)nn3)ccc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C47H39N7O6/c55-42-26-44(34-12-6-2-7-13-34)59-46-24-38(16-18-40(42)46)57-22-20-53-31-36(48-50-53)29-52(28-33-10-4-1-5-11-33)30-37-32-54(51-49-37)21-23-58-39-17-19-41-43(56)27-45(60-47(41)25-39)35-14-8-3-9-15-35/h1-19,24-27,31-32H,20-23,28-30H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KASMADNKKVWKFN-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