General Information of the Compound
| Compound ID |
CP0498326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-(1H-imidazol-1-yl)phenoxy)-2-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholinopyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23N5O4
|
||||||||||||||||||
| Molecular Weight |
457.49
|
||||||||||||||||||
| Canonical SMILES |
C(c1ccc2OCOc2c1)c1nc(Oc2ccc(cc2)-n2ccnc2)cc(n1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23N5O4/c1-6-21-22(33-17-32-21)13-18(1)14-23-27-24(29-9-11-31-12-10-29)15-25(28-23)34-20-4-2-19(3-5-20)30-8-7-26-16-30/h1-8,13,15-16H,9-12,14,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGFLIJQCXCLGRO-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