General Property |
Molceule ID (DB) | EGIN0003065 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | N-[4-(6-chloro-1,3-benzothiazol-2-yl)-2-fluorophenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
Formula | C30H30ClFN6O2S |
Mass | 593.115 |
Exact Mass | 592.1823508 |
Composition | C (60.75%), H (5.1%), Cl (5.98%), F (3.2%), N (14.17%), O (5.4%), S (5.41%) |
Atom Count | 71 |
PI | 10.69 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1c(cc(c2nc3c(s2)cc(cc3)Cl)cc1)F)OCCCN1CCN(CC1)C)OC |
InChI | 1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-
4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35) |
InChIKey | WZTHBTBWYVSGPF-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 19692247 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VERFR2 | VERFR2 | TIE2 | Aurora A | Aurora B | PDGFR beta | ALL |
Pub Chem Link |
46225667
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Drug Bank Link | - |
ChemSpider Link | 24647540 |
ChEMBL Link | CHEMBL593909 |