General Property |
Molceule ID (DB) | EGIN0003497 |
Inhibitor Class | Biaryl |
Molecule Name in Refrence Article | 10a compound |
IUPAC Name | N-cyclopropyl-3-[3-(cyclopropylmethyl)-4-oxo-3,4-dihydro-1,2,3-benzotriazin-7-yl]-4-methylbenzamide |
Formula | C22H22N4O2 |
Mass | 374.4357 |
Exact Mass | 374.174276 |
Composition | C (70.57%), H (5.92%), N (14.96%), O (8.55%) |
Atom Count | 50 |
PI | 7.41 |
Smiles | c1(ccc2c(c1)nnn(c2=O)CC1CC1)c1cc(ccc1C)C(=O)NC1CC1 |
InChI | 1S/C22H22N4O2/c1-13-2-5-16(21(27)23-17-7-8-17)10-19(13)15-6-9-18-20(11-15)24-25-26(22(18)28)12-14-3-
4-14/h2,5-6,9-11,14,17H,3-4,7-8,12H2,1H3,(H,23,27) |
InChIKey | GURGQFBRXVKIQG-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 | PBMC | HWB | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24718892 |
ChEMBL Link | CHEMBL521734 |