General Property |
Molceule ID (DB) | EGIN0000143 |
Inhibitor Class | Pyrazole-thio-urea |
Molecule Name in Refrence Article | C29 compound |
IUPAC Name | (5S)-5-(2-chlorophenyl)-3-(3,4-dibromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
Formula | C16H12Br2ClN3S |
Mass | 473.613 |
Exact Mass | 470.8807211 |
Composition | C (40.58%), H (2.55%), Br (33.74%), Cl (7.49%), N (8.87%), S (6.77%) |
Atom Count | 35 |
PI | 6.03 |
Smiles | C1(=NN([C@@H](C1)c1c(cccc1)Cl)C(=S)N)c1cc(c(cc1)Br)Br |
InChI | 1S/C16H12Br2ClN3S/c17-11-6-5-9(7-12(11)18)14-8-15(22(21-14)16(20)23)10-3-1-2-4-13(10)19/h1-7,15H,8H2
,(H2,20,23)/t15-/m0/s1 |
InChIKey | VLOZVSNKEBEMBK-HNNXBMFYSA-N |
2D Structure | ![](./image/EGIN0000143.png) | Structure Backbone | ![](./frame/f_EGIN0000143.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 | 25038784 |
ChEMBL Link | CHEMBL1173251 |