General Information of the Compound
| Compound ID |
CP0487252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[[2-[4-[4-(1-benzyltriazol-4-yl)butoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
Show/Hide
|
||||||||||||||||||
| Formula |
C37H33N3O6
|
||||||||||||||||||
| Molecular Weight |
615.686
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCCCc3cn(Cc4ccccc4)nn3)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H33N3O6/c1-43-37(42)29-13-9-12-27(22-29)25-45-36-34(41)32-15-5-6-16-33(32)46-35(36)28-17-19-31(20-18-28)44-21-8-7-14-30-24-40(39-38-30)23-26-10-3-2-4-11-26/h2-6,9-13,15-20,22,24H,7-8,14,21,23,25H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BECCUKCZBHNIBT-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