853910-02-8
Product Name:
α,α,-Dimethyl-4-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1H-imidazo[4,5-c]quinolin-1-yl]-benzeneacetonitrile
Formula:
C28H21N5
Synonyms:
α,α,-Dimethyl-4-(2-methyl-8-(2-(3-pyridinyl)ethynyl)-1H-imidazo[4,5-c]quinolin-1-yl)-benzeneacetonitrile, BAG956, PI 3-K Inhibitor XVI, PDK1 Inhibitor IV;PI 3-K/PDK-1 Inhibitor, NVP-BAG956 - CAS 853910-02-8 - Calbiochem
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 427.5 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 427.17969569 g/mol |
| Monoisotopic Mass | 427.17969569 g/mol |
| Topological Polar Surface Area | 67.4 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 806 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |