General Information of the Compound
| Compound ID |
CP0192422
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-(benzo[d][1,3]dioxol-5-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18N4O3
|
||||||||||||||||||
| Molecular Weight |
386.411
|
||||||||||||||||||
| Canonical SMILES |
CN1C(N)=NC(C1=O)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18N4O3/c1-26-20(27)22(25-21(26)23,17-7-8-18-19(11-17)29-13-28-18)16-6-2-4-14(10-16)15-5-3-9-24-12-15/h2-12H,13H2,1H3,(H2,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XEGBNTCEGJZIPQ-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