General Property |
Molceule ID (DB) | EGIN0004502 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 42l |
IUPAC Name | N-{3-chloro-4-[(1-methyl-1H-indazol-4-yl)oxy]phenyl}-5-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
Formula | C23H21ClN6O |
Mass | 432.905 |
Exact Mass | 432.146537 |
Composition | C (63.81%), H (4.89%), Cl (8.19%), N (19.41%), O (3.7%) |
Atom Count | 52 |
PI | 10.88 |
Smiles | c1(c2n(ccc2ncn1)CCC)Nc1ccc(c(c1)Cl)Oc1c2cnn(c2ccc1)C |
InChI | 1S/C23H21ClN6O/c1-3-10-30-11-9-18-22(30)23(26-14-25-18)28-15-7-8-21(17(24)12-15)31-20-6-4-5-19-16(20
)13-27-29(19)2/h4-9,11-14H,3,10H2,1-2H3,(H,25,26,28) |
InChIKey | MBHVJRGLWQPZGI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004502.png) | Structure Backbone | ![](./frame/f_EGIN0004502.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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |