General Property |
Molceule ID (DB) | EGIN0003278 |
Inhibitor Class | Indolone |
Molecule Name in Refrence Article | 5c compound |
IUPAC Name | (3Z)-3-({3,5-dimethyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrol-2-yl}methylidene)-2,3-dihydro-1H-indol-2-one |
Formula | C23H30N4O |
Mass | 378.5105 |
Exact Mass | 378.2419616 |
Composition | C (72.98%), H (7.99%), N (14.8%), O (4.23%) |
Atom Count | 58 |
PI | 9.99 |
Smiles | c1(/C=C/2C(=O)Nc3c2cccc3)[nH]c(c(c1C)CCCN1CCN(CC1)C)C |
InChI | 1S/C23H30N4O/c1-16-18(8-6-10-27-13-11-26(3)12-14-27)17(2)24-22(16)15-20-19-7-4-5-9-21(19)25-23(20)28
/h4-5,7,9,15,24H,6,8,10-14H2,1-3H3,(H,25,28)/b20-15- |
InChIKey | LPLGZUZPKACGSS-HKWRFOASSA-N |
2D Structure | ![](./image/EGIN0003278.png) | Structure Backbone | ![](./frame/f_EGIN0003278.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 | 12646019 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | FGFR1 | PDGFR beta | ALL |
Pub Chem Link |
5329100
|
Drug Bank Link | - |
ChemSpider Link | 4486262 |
ChEMBL Link | CHEMBL430155 |