General Property |
Molceule ID (DB) | EGIN0000119 |
Inhibitor Class | Pyrazole-thio-urea |
Molecule Name in Refrence Article | C5 compound |
IUPAC Name | (5S)-3-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
Formula | C19H21N3OS |
Mass | 339.455 |
Exact Mass | 339.140533 |
Composition | C (67.23%), H (6.24%), N (12.38%), O (4.71%), S (9.45%) |
Atom Count | 45 |
PI | 6.79 |
Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)OC)C(=S)N)c1cc(c(cc1)C)C |
InChI | 1S/C19H21N3OS/c1-12-4-5-15(10-13(12)2)17-11-18(22(21-17)19(20)24)14-6-8-16(23-3)9-7-14/h4-10,18H,11H
2,1-3H3,(H2,20,24)/t18-/m0/s1 |
InChIKey | DHEZMKZYJNFVFC-SFHVURJKSA-N |
2D Structure | ![](./image/EGIN0000119.png) | Structure Backbone | ![](./frame/f_EGIN0000119.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 | 25037202 |
ChEMBL Link | CHEMBL1173814 |