General Property |
Molceule ID (DB) | EGIN0003495 |
Inhibitor Class | Biaryl |
Molecule Name in Refrence Article | 19a compound |
IUPAC Name | N-cyclopropyl-4-methyl-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide |
Formula | C23H25N3O2 |
Mass | 375.4635 |
Exact Mass | 375.1946771 |
Composition | C (73.57%), H (6.71%), N (11.19%), O (8.52%) |
Atom Count | 53 |
PI | 12.61 |
Smiles | c1(cc2c(cc1)c(no2)C1CCNCC1)c1cc(ccc1C)C(=O)NC1CC1 |
InChI | 1S/C23H25N3O2/c1-14-2-3-17(23(27)25-18-5-6-18)12-20(14)16-4-7-19-21(13-16)28-26-22(19)15-8-10-24-11-
9-15/h2-4,7,12-13,15,18,24H,5-6,8-11H2,1H3,(H,25,27) |
InChIKey | UEWLDVUSFNQXKA-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 | 18789685 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | JNK3 | LCK | CDK2 | cFMS | VEGFR2 | PLK1 | SGK1 | Raf/Mek/Erk | PBMC | HWB | ALL |
Pub Chem Link |
9864418
|
Drug Bank Link | - |
ChemSpider Link | 8040111 |
ChEMBL Link | CHEMBL497563 |