General Property |
Molceule ID (DB) | EGIN0004986 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 1 |
IUPAC Name | Nâ€(3â€chlorophenyl)â€6,7â€dimethoxyquinazolinâ€4â€amine |
Formula | C16H14ClN3O2 |
Mass | 315.754 |
Exact Mass | 315.077454414 |
Composition | C (60.86%), H (4.47%), Cl (11.23%), N(13.31%), O (10.13%) |
Atom Count | 36 |
PI | 10.27 |
Smiles | [H]N(C1=C2C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C2=NC([H])=N1)C1=C([H])C([H])=C([H])C(Cl)=C1[H] |
InChI | 1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18
,19,20) |
InChIKey | GFNNBHLJANVSQV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004986.png) | Structure Backbone | ![](./frame/f_EGIN0004986.png) |
|
View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 22607878 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
2051
|
Drug Bank Link | - |
ChemSpider Link | 1968 |
ChEMBL Link | CHEMBL7917 |