General Property |
Molceule ID (DB) | EGIN0003933 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | 6-phenyl-N-[(1S)-1-phenylethyl]-1H-pyrrolo[2,3-d]pyrimidin-4-amine |
Formula | C20H18N4 |
Mass | 314.3837 |
Exact Mass | 314.1531466 |
Composition | C (76.41%), H (5.77%), N (17.82%) |
Atom Count | 42 |
PI | 7.3 |
Smiles | [nH]1cnc(c2cc(nc12)c1ccccc1)N[C@H](c1ccccc1)C |
InChI | 1S/C20H18N4/c1-14(15-8-4-2-5-9-15)23-19-17-12-18(16-10-6-3-7-11-16)24-20(17)22-13-21-19/h2-14H,1H3,(
H2,21,22,23,24)/t14-/m0/s1 |
InChIKey | ZAKMPELDDUIRHT-AWEZNQCLSA-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 | 11520212 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 23189228 |
ChEMBL Link | CHEMBL105053 |