General Information of the Compound
| Compound ID |
CP0430245
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxyquinazoline-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25FN2O4
|
||||||||||||||||||
| Molecular Weight |
400.45
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc2n(C)c(=O)n(CCCO)c(=O)c2c1Cc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25FN2O4/c1-14(2)29-19-10-9-18-20(17(19)13-15-5-7-16(23)8-6-15)21(27)25(11-4-12-26)22(28)24(18)3/h5-10,14,26H,4,11-13H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUMKYAVJJZYABR-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