General Property |
Molceule ID (DB) | EGIN0003837 |
Inhibitor Class | Pyrimido-indole |
Molecule Name in Refrence Article | 42 compound |
IUPAC Name | dimethyl[2-({3H-pyrimido[4,5-b]indol-4-yl}amino)ethyl]amine |
Formula | C14H17N5 |
Mass | 255.3183 |
Exact Mass | 255.1483956 |
Composition | C (65.86%), H (6.71%), N (27.43%) |
Atom Count | 36 |
PI | 8.83 |
Smiles | c12c(c3c(n1)cccc3)c([nH]cn2)NCCN(C)C |
InChI | 1S/C14H17N5/c1-19(2)8-7-15-13-12-10-5-3-4-6-11(10)18-14(12)17-9-16-13/h3-6,9H,7-8H2,1-2H3,(H2,15,16,
17,18) |
InChIKey | XPZFMMISYLFNHI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003837.png) | Structure Backbone | ![](./frame/f_EGIN0003837.png) |
|
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 |
5328390
|
Drug Bank Link | - |
ChemSpider Link | 4485555 |
ChEMBL Link | CHEMBL1184578 |