General Information of the Compound
| Compound ID |
CP0469705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3E)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15N3O2
|
||||||||||||||||||
| Molecular Weight |
281.315
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ncc(\C=C2/COc3ccccc3C2=O)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15N3O2/c1-19(2)16-17-8-11(9-18-16)7-12-10-21-14-6-4-3-5-13(14)15(12)20/h3-9H,10H2,1-2H3/b12-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWDRRYHOPRVVFB-KPKJPENVSA-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