General Property |
Molceule ID (DB) | EGIN0000118 |
Inhibitor Class | Pyrazole-thio-urea |
Molecule Name in Refrence Article | C4 compound |
IUPAC Name | (5S)-3-(3,4-dimethylphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
Formula | C19H21N3S |
Mass | 323.455 |
Exact Mass | 323.1456184 |
Composition | C (70.55%), H (6.54%), N (12.99%), S (9.91%) |
Atom Count | 44 |
PI | 6.93 |
Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)C)C(=S)N)c1cc(c(cc1)C)C |
InChI | 1S/C19H21N3S/c1-12-4-7-15(8-5-12)18-11-17(21-22(18)19(20)23)16-9-6-13(2)14(3)10-16/h4-10,18H,11H2,1-
3H3,(H2,20,23)/t18-/m0/s1 |
InChIKey | AAXJTXUUVCETME-SFHVURJKSA-N |
2D Structure | ![](./image/EGIN0000118.png) | Structure Backbone | ![](./frame/f_EGIN0000118.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 | 25037201 |
ChEMBL Link | CHEMBL1173813 |