General Property |
Molceule ID (DB) | EGIN0000139 |
Inhibitor Class | Pyrazole-thio-urea |
Molecule Name in Refrence Article | C25 compound |
IUPAC Name | (5S)-3-(3,4-dibromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
Formula | C17H15Br2N3OS |
Mass | 469.194 |
Exact Mass | 466.9302581 |
Composition | C (43.52%), H (3.22%), Br (34.06%), N (8.96%), O (3.41%), S (6.83%) |
Atom Count | 39 |
PI | 6.16 |
Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)OC)C(=S)N)c1cc(c(cc1)Br)Br |
InChI | 1S/C17H15Br2N3OS/c1-23-12-5-2-10(3-6-12)16-9-15(21-22(16)17(20)24)11-4-7-13(18)14(19)8-11/h2-8,16H,9
H2,1H3,(H2,20,24)/t16-/m0/s1 |
InChIKey | BFMZMSOVKUBSHF-INIZCTEOSA-N |
2D Structure | ![](./image/EGIN0000139.png) | Structure Backbone | ![](./frame/f_EGIN0000139.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 | 25047644 |
ChEMBL Link | CHEMBL1173193 |