General Property |
Molceule ID (DB) | EGIN0004890 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 27 |
IUPAC Name | N-(3-iodophenyl)-6-({1H-pyrrolo[2,3-b]pyridin-2-yl}carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
Formula | C20H13IN6O |
Mass | 480.2613 |
Exact Mass | 480.0195525 |
Composition | C (50.02%), H (2.73%), I (26.42%), N (17.5%), O (3.33%) |
Atom Count | 41 |
PI | 7.91 |
Smiles | Ic1cccc(Nc2c3cc([nH]c3ncn2)C(=O)c2cc3cccnc3[nH]2)c1 |
InChI | 1S/C20H13IN6O/c21-12-4-1-5-13(8-12)25-19-14-9-16(27-20(14)24-10-23-19)17(28)15-7-11-3-2-6-22-18(11)2
6-15/h1-10H,(H,22,26)(H2,23,24,25,27) |
InChIKey | NEPKEZLQLOQKPK-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 | 22169601 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |