General Information of the Compound
| Compound ID |
CP0504807
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R,3R)-5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-3-yl] 4-fluoro-3-[(3,4,5-trimethoxybenzoyl)amino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H36FNO13
|
||||||||||||||||||
| Molecular Weight |
721.687
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c2C(=O)[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H36FNO13/c1-43-21-16-24(44-2)30-25(17-21)51-32(19-12-26(45-3)33(49-7)27(13-19)46-4)35(31(30)40)52-37(42)18-9-10-22(38)23(11-18)39-36(41)20-14-28(47-5)34(50-8)29(15-20)48-6/h9-17,32,35H,1-8H3,(H,39,41)/t32-,35+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AOWXCDZQBKSABG-LDNVYYCDSA-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