General Property |
Molceule ID (DB) | EGIN0004885 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 22 |
IUPAC Name | N-(4-chlorophenyl)-6-[(1H-indol-2-yl)carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
Formula | C21H14ClN5O |
Mass | 387.822 |
Exact Mass | 387.0886878 |
Composition | C (65.04%), H (3.64%), Cl (9.14%), N (18.06%), O (4.13%) |
Atom Count | 42 |
PI | 7.91 |
Smiles | Clc1ccc(Nc2c3cc([nH]c3ncn2)C(=O)c2cc3ccccc3[nH]2)cc1 |
InChI | 1S/C21H14ClN5O/c22-13-5-7-14(8-6-13)25-20-15-10-18(27-21(15)24-11-23-20)19(28)17-9-12-3-1-2-4-16(12)
26-17/h1-11,26H,(H2,23,24,25,27) |
InChIKey | IEPCKFDREJIVTH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004885.png) | Structure Backbone | ![](./frame/f_EGIN0004885.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 |
57393636
|
Drug Bank Link | - |
ChemSpider Link | 28481470 |
ChEMBL Link | CHEMBL1928288 |