Compound Summary
Compound Information
Tyrphostin AG-528
Compound Name: | Tyrphostin AG-528 |
Compound CID: | 1838043 |
Synonyms: | Tyrphostin AG-528 |
Iupac Name: | (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile |
InChI: | InChI=1S/C18H14N2O3/c19-11-14(9-12-5-6-16(21)17(22)10-12)18(23)20-8-7-13-3-1-2-4-15(13)20/h1-6,9-10,21-22H,7-8H2/b14-9+ |
InChIKey: | MYKCTDWWIWGLHW-NTEUORMPSA-N |
Canonical Smiles: | C1CN(C2=CC=CC=C21)C(=O)C(=CC3=CC(=C(C=C3)O)O)C#N |
Isomeric Smiles: | C1CN(C2=CC=CC=C21)C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C#N |
Molecular Weight: | 306.3 |
Molecular Formula: | C18H14N2O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Tyrphostin AG-528
Molecular Weight: | 306.3 |
Molecular Formula: | C18H14N2O3 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 23 |
Complexity: | 536 |
Synonyms
Tyrphostin AG-528
Experimental Data
Tyrphostin AG-528
Experimental Data Visualization
Tyrphostin AG-528
Statistics Data
Tyrphostin AG-528
Statistics Data Visualization
Tyrphostin AG-528
