General Property |
Molceule ID (DB) | EGIN0003001 |
Inhibitor Class | Indole |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | 4-(2-{[3-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]-1H-indol-5-yl]oxy}ethyl)phenol |
Formula | C31H30N2O2 |
Mass | 462.5821 |
Exact Mass | 462.2307282 |
Composition | C (80.49%), H (6.54%), N (6.06%), O (6.92%) |
Atom Count | 65 |
PI | 9.91 |
Smiles | c1c(ccc2c1c(cn2Cc1ccc(cc1)c1ccccc1)CCN)OCCc1ccc(cc1)O |
InChI | 1S/C31H30N2O2/c32-18-16-27-22-33(21-24-6-10-26(11-7-24)25-4-2-1-3-5-25)31-15-14-29(20-30(27)31)35-19
-17-23-8-12-28(34)13-9-23/h1-15,20,22,34H,16-19,21,32H2 |
InChIKey | ONLFVEWFNWQIBS-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 | 20456957 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | IGF1R | VEGFR3 | ALL |
Pub Chem Link |
46888663
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Drug Bank Link | - |
ChemSpider Link | 25049337 |
ChEMBL Link | CHEMBL1199071 |