General Property |
Molceule ID (DB) | EGIN0003460 |
Inhibitor Class | Diazepine |
Molecule Name in Refrence Article | 3s compound |
IUPAC Name | 9-(2-fluorophenyl)-2,4,5,8-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaene-12-carbonitrile |
Formula | C17H10FN5 |
Mass | 303.2932 |
Exact Mass | 303.0920236 |
Composition | C (67.32%), H (3.32%), F (6.26%), N (23.09%) |
Atom Count | 33 |
PI | 7.18 |
Smiles | [nH]1c2c(c(nc3c1n[nH]c3)c1ccccc1F)cc(cc2)C#N |
InChI | 1S/C17H10FN5/c18-13-4-2-1-3-11(13)16-12-7-10(8-19)5-6-14(12)22-17-15(21-16)9-20-23-17/h1-7,9H,(H2,20
,22,23) |
InChIKey | HVAQMHFWXFSGJF-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 | 20832307 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | FAK | CDK1 | CDK2 | KDR | PDGFr | CDK4 | Src | FGFr | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 26364452 |
ChEMBL Link | CHEMBL1257795 |