General Information of the Compound
| Compound ID |
CP0544327
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[[2-[4-[2-[2-[4-(anilinomethyl)triazol-1-yl]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
Show/Hide
|
||||||||||||||||||
| Formula |
C37H34N4O7
|
||||||||||||||||||
| Molecular Weight |
646.7
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CNc4ccccc4)nn3)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H34N4O7/c1-44-37(43)28-9-7-8-26(22-28)25-47-36-34(42)32-12-5-6-13-33(32)48-35(36)27-14-16-31(17-15-27)46-21-20-45-19-18-41-24-30(39-40-41)23-38-29-10-3-2-4-11-29/h2-17,22,24,38H,18-21,23,25H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FWHNQDLISXUHEG-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
Protein ID: PT02516, Multidrug resistance-associated protein 1