General Information of the Compound
| Compound ID |
CP0417615
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenoxy]quinazoline-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23F3N2O5
|
||||||||||||||||||
| Molecular Weight |
500.473
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ccc(Oc3cccc(OC(F)(F)F)c3)c(Cc3ccccc3)c2c(=O)n(CCCO)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23F3N2O5/c1-30-21-11-12-22(35-18-9-5-10-19(16-18)36-26(27,28)29)20(15-17-7-3-2-4-8-17)23(21)24(33)31(25(30)34)13-6-14-32/h2-5,7-12,16,32H,6,13-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWTMGKUYTSUJSG-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