General Property |
Molceule ID (DB) | EGIN0000130 |
Inhibitor Class | Pyrazole-thio-urea |
Molecule Name in Refrence Article | C16 compound |
IUPAC Name | (5S)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
Formula | C16H13Cl2N3OS |
Mass | 366.265 |
Exact Mass | 365.0156382 |
Composition | C (52.47%), H (3.58%), Cl (19.36%), N (11.47%), O (4.37%), S (8.75%) |
Atom Count | 36 |
PI | 5.08 |
Smiles | C1(=NN([C@@H](C1)c1ccc(cc1)O)C(=S)N)c1cc(c(cc1)Cl)Cl |
InChI | 1S/C16H13Cl2N3OS/c17-12-6-3-10(7-13(12)18)14-8-15(21(20-14)16(19)23)9-1-4-11(22)5-2-9/h1-7,15,22H,8H
2,(H2,19,23)/t15-/m0/s1 |
InChIKey | QNLDNZHJFQMGHT-HNNXBMFYSA-N |
2D Structure | ![](./image/EGIN0000130.png) | Structure Backbone | ![](./frame/f_EGIN0000130.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 | 25038859 |
ChEMBL Link | CHEMBL1173667 |