General Property |
Molceule ID (DB) | EGIN0001829 |
Inhibitor Class | Thieno-pyridine |
Molecule Name in Refrence Article | 54 compound |
IUPAC Name | 2-(2-{[(4-{7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl}phenyl)methyl]amino}ethoxy)ethan-1-ol |
Formula | C27H28N4O2S |
Mass | 472.602 |
Exact Mass | 472.1932969 |
Composition | C (68.62%), H (5.97%), N (11.85%), O (6.77%), S (6.78%) |
Atom Count | 62 |
PI | 12.04 |
Smiles | s1c(cc2c1c(Nc1cc3cc([nH]c3cc1)C)ccn2)c1ccc(cc1)CNCCOCCO |
InChI | 1S/C27H28N4O2S/c1-18-14-21-15-22(6-7-23(21)30-18)31-24-8-9-29-25-16-26(34-27(24)25)20-4-2-19(3-5-20)
17-28-10-12-33-13-11-32/h2-9,14-16,28,30,32H,10-13,17H2,1H3,(H,29,31) |
InChIKey | SJSZXGFLISXGGM-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 | 14684289 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR | |
Pub Chem Link |
18383101
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Drug Bank Link | - |
ChemSpider Link | 13367713 |
ChEMBL Link | CHEMBL77342 |