General Property |
Molceule ID (DB) | EGIN0004454 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5q |
IUPAC Name | 8-[(2-hydroxyphenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one |
Formula | C22H23N5O4 |
Mass | 421.4491 |
Exact Mass | 421.1750042 |
Composition | C (62.7%), H (5.5%), N (16.62%), O (15.19%) |
Atom Count | 54 |
PI | 8.13 |
Smiles | C1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1c(cccc1)O |
InChI | 1S/C22H23N5O4/c28-19-5-2-1-4-16(19)25-21-15-12-18-20(13-17(15)23-14-24-21)31-22(29)27(18)7-3-6-26-8-
10-30-11-9-26/h1-2,4-5,12-14,28H,3,6-11H2,(H,23,24,25) |
InChIKey | VMIQKNBDZRNRNG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004454.png) | Structure Backbone | ![](./frame/f_EGIN0004454.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 | 22818848 |
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 | 28522145 |
ChEMBL Link | - |