General Property |
Molceule ID (DB) | EGIN0002389 |
Inhibitor Class | Imidazo-thiazole |
Molecule Name in Refrence Article | 18 compound |
IUPAC Name | 2-cyclopentyl-N-{3-[5-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}acetamide |
Formula | C32H33N7O2S |
Mass | 579.715 |
Exact Mass | 579.241644 |
Composition | C (66.3%), H (5.74%), N (16.91%), O (5.52%), S (5.53%) |
Atom Count | 75 |
PI | 8.38 |
Smiles | c12nc(c(n1ccs2)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1)c1cc(ccc1)NC(=O)CC1CCCC1 |
InChI | 1S/C32H33N7O2S/c40-28(20-22-4-1-2-5-22)34-25-7-3-6-23(21-25)29-30(39-16-19-42-32(39)37-29)27-12-13-3
3-31(36-27)35-24-8-10-26(11-9-24)38-14-17-41-18-15-38/h3,6-13,16,19,21-22H,1-2,4-5,14-15,17-18,20H2,
(H,34,40)(H,33,35,36) |
InChIKey | OFMCNAPDKXHINQ-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 20346655 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | IGF1R | |
Pub Chem Link |
46886316
|
Drug Bank Link | - |
ChemSpider Link | 24676507 |
ChEMBL Link | CHEMBL1090353 |