General Property |
Molceule ID (DB) | EGIN0000152 |
Inhibitor Class | Pyrazole-thio-urea |
Molecule Name in Refrence Article | D8 compound |
IUPAC Name | 1-[(5S)-3-(3,4-dichlorophenyl)-5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
Formula | C19H18Cl2N2O3 |
Mass | 393.264 |
Exact Mass | 392.0694479 |
Composition | C (58.03%), H (4.61%), Cl (18.03%), N (7.12%), O (12.21%) |
Atom Count | 44 |
PI | No isoelectric point. |
Smiles | C1(=NN([C@@H](C1)c1cc(cc(c1)OC)OC)C(=O)C)c1cc(c(cc1)Cl)Cl |
InChI | 1S/C19H18Cl2N2O3/c1-11(24)23-19(13-6-14(25-2)9-15(7-13)26-3)10-18(22-23)12-4-5-16(20)17(21)8-12/h4-9
,19H,10H2,1-3H3/t19-/m0/s1 |
InChIKey | AUUDLJVRYOAHGV-IBGZPJMESA-N |
2D Structure | ![](./image/EGIN0000152.png) | Structure Backbone | ![](./frame/f_EGIN0000152.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 | 20627597 |
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 | 25038608 |
ChEMBL Link | CHEMBL1172602 |