General Property |
Molceule ID (DB) | EGIN0000150 |
Inhibitor Class | Pyrazole-thio-urea |
Molecule Name in Refrence Article | D6 compound |
IUPAC Name | 1-[(5S)-5-(2-chlorophenyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
Formula | C17H13Cl3N2O |
Mass | 367.657 |
Exact Mass | 366.0093462 |
Composition | C (55.54%), H (3.56%), Cl (28.93%), N (7.62%), O (4.35%) |
Atom Count | 36 |
PI | No isoelectric point. |
Smiles | C1(=NN([C@@H](C1)c1c(cccc1)Cl)C(=O)C)c1cc(c(cc1)Cl)Cl |
InChI | 1S/C17H13Cl3N2O/c1-10(23)22-17(12-4-2-3-5-13(12)18)9-16(21-22)11-6-7-14(19)15(20)8-11/h2-8,17H,9H2,1
H3/t17-/m0/s1 |
InChIKey | UEQVVKSOVWSICC-KRWDZBQOSA-N |
2D Structure | ![](./image/EGIN0000150.png) | Structure Backbone | ![](./frame/f_EGIN0000150.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 | 25034234 |
ChEMBL Link | CHEMBL1172418 |