General Property |
Molceule ID (DB) | EGIN0001831 |
Inhibitor Class | Thieno-pyridine |
Molecule Name in Refrence Article | 56 compound |
IUPAC Name | 2-methyl-N-{2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-yl}-1H-indol-5-amine |
Formula | C27H26N4OS |
Mass | 454.587 |
Exact Mass | 454.1827322 |
Composition | C (71.34%), H (5.76%), N (12.32%), O (3.52%), S (7.05%) |
Atom Count | 59 |
PI | 12.09 |
Smiles | s1c(cc2c1c(Nc1cc3cc([nH]c3cc1)C)ccn2)c1ccc(CN2CCOCC2)cc1 |
InChI | 1S/C27H26N4OS/c1-18-14-21-15-22(6-7-23(21)29-18)30-24-8-9-28-25-16-26(33-27(24)25)20-4-2-19(3-5-20)1
7-31-10-12-32-13-11-31/h2-9,14-16,29H,10-13,17H2,1H3,(H,28,30) |
InChIKey | NWVUSUJOHOVKNG-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 |
10434122
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Drug Bank Link | - |
ChemSpider Link | 8609548 |
ChEMBL Link | CHEMBL311111 |