General Property |
Molceule ID (DB) | EGIN0003829 |
Inhibitor Class | Pyrimido-indole |
Molecule Name in Refrence Article | 34 compound |
IUPAC Name | N-phenyl-3H-pyrimido[5,4-b]indol-4-amine |
Formula | C16H12N4 |
Mass | 260.2933 |
Exact Mass | 260.1061964 |
Composition | C (73.83%), H (4.65%), N (21.52%) |
Atom Count | 32 |
PI | 5.21 |
Smiles | c12nc3c(c1nc[nH]c2Nc1ccccc1)cccc3 |
InChI | 1S/C16H12N4/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-16)12-8-4-5-9-13(12)20-15/h1-10,19H,(H,17,18) |
InChIKey | VPNPHNWBAAUNJT-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003829.png) | Structure Backbone | ![](./frame/f_EGIN0003829.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 | 10639288 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
5328384
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Drug Bank Link | - |
ChemSpider Link | 25040922 |
ChEMBL Link | CHEMBL1193264 |