General Property |
Molceule ID (DB) | EGIN0003004 |
Inhibitor Class | Indole |
Molecule Name in Refrence Article | 20 compound |
IUPAC Name | 4-(2-{[(2R)-2-amino-9-[5-(4-aminophenyl)pentyl]-2,3,4,9-tetrahydro-1H-carbazol-6-yl]oxy}ethyl)phenol |
Formula | C31H37N3O2 |
Mass | 483.6444 |
Exact Mass | 483.2885774 |
Composition | C (76.98%), H (7.71%), N (8.69%), O (6.62%) |
Atom Count | 73 |
PI | 10.04 |
Smiles | c1c(ccc2c1c1c(n2CCCCCc2ccc(cc2)N)C[C@@H](CC1)N)OCCc1ccc(cc1)O |
InChI | 1S/C31H37N3O2/c32-24-9-5-22(6-10-24)4-2-1-3-18-34-30-16-14-27(36-19-17-23-7-12-26(35)13-8-23)21-29(3
0)28-15-11-25(33)20-31(28)34/h5-10,12-14,16,21,25,35H,1-4,11,15,17-20,32-33H2/t25-/m1/s1 |
InChIKey | SPIQSNYJPSROLJ-RUZDIDTESA-N |
2D Structure | ![](./image/EGIN0003004.png) | Structure Backbone | ![](./frame/f_EGIN0003004.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 | 20456957 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | VEGFR3 | IGF1R | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL1199072 |