General Property |
Molceule ID (DB) | EGIN0003000 |
Inhibitor Class | Indole |
Molecule Name in Refrence Article | 8 compound |
IUPAC Name | 4-(2-{[3-(2-aminoethyl)-1-{[4-(3-methoxyphenyl)phenyl]methyl}-1H-indol-5-yl]oxy}ethyl)phenol |
Formula | C32H32N2O3 |
Mass | 492.6081 |
Exact Mass | 492.2412929 |
Composition | C (78.02%), H (6.55%), N (5.69%), O (9.74%) |
Atom Count | 69 |
PI | 9.91 |
Smiles | c1c(ccc2c1c(cn2Cc1ccc(cc1)c1cc(ccc1)OC)CCN)OCCc1ccc(cc1)O |
InChI | 1S/C32H32N2O3/c1-36-29-4-2-3-26(19-29)25-9-5-24(6-10-25)21-34-22-27(15-17-33)31-20-30(13-14-32(31)34
)37-18-16-23-7-11-28(35)12-8-23/h2-14,19-20,22,35H,15-18,21,33H2,1H3 |
InChIKey | ZVAZARFFXQNPCG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003000.png) | Structure Backbone | ![](./frame/f_EGIN0003000.png) |
|
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 | 20456957 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | IGF1R | VEGFR3 | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL1199045 |