General Property |
Molceule ID (DB) | EGIN0004580 |
Inhibitor Class | Triazine |
Molecule Name in Refrence Article | 1f |
IUPAC Name | 4-[(1E)-{2-[4-(methylamino)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol |
Formula | C17H17N7O |
Mass | 335.3632 |
Exact Mass | 335.1494582 |
Composition | C (60.88%), H (5.11%), N (29.24%), O (4.77%) |
Atom Count | 42 |
PI | 6.89 |
Smiles | n1c(nc(nc1Nc1ccccc1)N/N=C/c1ccc(cc1)O)NC |
InChI | 1S/C17H17N7O/c1-18-15-21-16(20-13-5-3-2-4-6-13)23-17(22-15)24-19-11-12-7-9-14(25)10-8-12/h2-11,25H,1
H3,(H3,18,20,21,22,23,24)/b19-11+ |
InChIKey | ZCHSNXKHAWFETC-YBFXNURJSA-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 | 22227214 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 22897894 |
ChEMBL Link | CHEMBL1946847 |