General Property |
Molceule ID (DB) | EGIN0003005 |
Inhibitor Class | Indole |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | 4-(2-{[(2R)-2-amino-9-[5-(4-methoxyphenyl)pentyl]-2,3,4,9-tetrahydro-1H-carbazol-6-yl]oxy}ethyl)phenol |
Formula | C32H38N2O3 |
Mass | 498.6557 |
Exact Mass | 498.2882431 |
Composition | C (77.08%), H (7.68%), N (5.62%), O (9.63%) |
Atom Count | 75 |
PI | 10.04 |
Smiles | c1c(ccc2c1c1c(n2CCCCCc2ccc(cc2)OC)C[C@@H](CC1)N)OCCc1ccc(cc1)O |
InChI | 1S/C32H38N2O3/c1-36-27-13-8-23(9-14-27)5-3-2-4-19-34-31-17-15-28(37-20-18-24-6-11-26(35)12-7-24)22-3
0(31)29-16-10-25(33)21-32(29)34/h6-9,11-15,17,22,25,35H,2-5,10,16,18-21,33H2,1H3/t25-/m1/s1 |
InChIKey | USMNNPBQNMVYQK-RUZDIDTESA-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 | 20456957 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR3 | IGF1R | VEGFR2 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL1199051 |