General Property |
Molceule ID (DB) | EGIN0003869 |
Inhibitor Class | Pyrido-thieno-pyrimidine |
Molecule Name in Refrence Article | 74 compound |
IUPAC Name | N-(3-chlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine |
Formula | C15H9ClN4S |
Mass | 312.777 |
Exact Mass | 312.0236447 |
Composition | C (57.6%), H (2.9%), Cl (11.33%), N (17.91%), S (10.25%) |
Atom Count | 30 |
PI | 8.03 |
Smiles | c12sc3c(c1ncnc2Nc1cc(Cl)ccc1)cccn3 |
InChI | 1S/C15H9ClN4S/c16-9-3-1-4-10(7-9)20-14-13-12(18-8-19-14)11-5-2-6-17-15(11)21-13/h1-8H,(H,18,19,20) |
InChIKey | LRYUYVGCKNONRJ-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 | 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 |
5328422
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Drug Bank Link | - |
ChemSpider Link | 4485587 |
ChEMBL Link | CHEMBL150390 |