General Property |
Molceule ID (DB) | EGIN0003294 |
Inhibitor Class | Amino-thiazole |
Molecule Name in Refrence Article | BMS-387032 |
IUPAC Name | N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide |
Formula | C17H24N4O2S2 |
Mass | 380.528 |
Exact Mass | 380.1340674 |
Composition | C (53.66%), H (6.36%), N (14.72%), O (8.41%), S (16.85%) |
Atom Count | 49 |
PI | 10.41 |
Smiles | C1(CCNCC1)C(=O)Nc1ncc(s1)SCc1oc(cn1)C(C)(C)C |
InChI | 1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,
18H,4-7,10H2,1-3H3,(H,20,21,22) |
InChIKey | OUSFTKFNBAZUKL-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003294.png) | Structure Backbone | ![](./frame/f_EGIN0003294.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 | 15027863 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | IGF1R | Chk1 | EMT | FAK | IKK | Lck | PKC beta | PKC gamma | ZAP70 | CDK1/cycB | CDK2/cycE | CDK4/cycD | ALL |
Pub Chem Link |
3025986
|
Drug Bank Link | - |
ChemSpider Link | 2291614 |
ChEMBL Link | CHEMBL296468 |