General Property |
Molceule ID (DB) | EGIN0001632 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 4 compound |
IUPAC Name | (2E)-3-[3-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide |
Formula | C19H17ClN2O3S |
Mass | 388.868 |
Exact Mass | 388.0648408 |
Composition | C (58.68%), H (4.41%), Cl (9.12%), N (7.2%), O (12.34%), S (8.25%) |
Atom Count | 43 |
PI | 3.86 |
Smiles | c1(cc(c(c(c1)OC)O)CSCc1ccccc1Cl)/C=C(C#N)/C(=O)N |
InChI | 1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23
H,10-11H2,1H3,(H2,22,24)/b14-6+ |
InChIKey | SOENYCXOSGATJG-MKMNVTDBSA-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 | 7902440 |
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 |
10430383
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Drug Bank Link | - |
ChemSpider Link | 8605811 |
ChEMBL Link | CHEMBL326100 |