General Property |
Molceule ID (DB) | EGIN0004898 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 35 |
IUPAC Name | 6-[(1H-indol-2-yl)carbonyl]-N-(3-iodophenyl)thieno[2,3-d]pyrimidin-4-amine |
Formula | C21H13IN4OS |
Mass | 496.324 |
Exact Mass | 495.9854752 |
Composition | C (50.82%), H (2.64%), I (25.57%), N (11.29%), O (3.22%), S (6.46%) |
Atom Count | 41 |
PI | 7.35 |
Smiles | Ic1cccc(Nc2c3cc(sc3ncn2)C(=O)c2cc3ccccc3[nH]2)c1 |
InChI | 1S/C21H13IN4OS/c22-13-5-3-6-14(9-13)25-20-15-10-18(28-21(15)24-11-23-20)19(27)17-8-12-4-1-2-7-16(12)
26-17/h1-11,26H,(H,23,24,25) |
InChIKey | MHAGHCPUCHCZCI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004898.png) | Structure Backbone | ![](./frame/f_EGIN0004898.png) |
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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 | 22169601 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | |
Pub Chem Link |
57391901
|
Drug Bank Link | - |
ChemSpider Link | 28430072 |
ChEMBL Link | CHEMBL1928295 |