General Property |
Molceule ID (DB) | EGIN0004499 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 46m |
IUPAC Name | N-[2-(4-{[4-(1,2-benzothiazol-4-yloxy)-3-chlorophenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2-hydroxy-2-methylpropanamide |
Formula | C25H23ClN6O3S |
Mass | 523.007 |
Exact Mass | 522.124087 |
Composition | C (57.41%), H (4.43%), Cl (6.78%), N (16.07%), O (9.18%), S (6.13%) |
Atom Count | 59 |
PI | 9.44 |
Smiles | c1(c2n(ccc2ncn1)CCNC(=O)C(C)(C)O)Nc1ccc(c(c1)Cl)Oc1c2cnsc2ccc1 |
InChI | 1S/C25H23ClN6O3S/c1-25(2,34)24(33)27-9-11-32-10-8-18-22(32)23(29-14-28-18)31-15-6-7-20(17(26)12-15)3
5-19-4-3-5-21-16(19)13-30-36-21/h3-8,10,12-14,34H,9,11H2,1-2H3,(H,27,33)(H,28,29,31) |
InChIKey | SEHAPCZLZSSPLF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004499.png) | Structure Backbone | ![](./frame/f_EGIN0004499.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 | 22439974 |
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 |
57413596
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Drug Bank Link | - |
ChemSpider Link | 28516156 |
ChEMBL Link | - |