General Information of the Compound
| Compound ID |
CP0444248
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-ethynylphenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H13N3O2
|
||||||||||||||||||
| Molecular Weight |
303.321
|
||||||||||||||||||
| Canonical SMILES |
C#Cc1cccc(Nc2ncnc3cc4OCCOc4cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H13N3O2/c1-2-12-4-3-5-13(8-12)21-18-14-9-16-17(23-7-6-22-16)10-15(14)19-11-20-18/h1,3-5,8-11H,6-7H2,(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRPLLYDQJIKGNT-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