CP-724714

Chemical Information
CP-724714 is a 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide in which the double bond adopts a trans-configuration. It is a potent inhibitor of HER2/ErbB2 (IC50 = 10 nM) and exhibits anti-cancer activity. It has a role as an antineoplastic agent, a hepatotoxic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an apoptosis inducer.
| CAS Number | 383432-38-0 |
| PubChem CID | 9874913 |
| IUPAC Name | 2-methoxy-N-[(E)-3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-enyl]acetamide |
| Molecular Formula | C27H27N5O3 |
| Molecular Weight | 469.5 |
| XLogP | 4.3 |
| Topological Polar Surface Area | 98.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 692 |
| Property | Value |
|---|---|
| Molecular Weight | 469.5 |
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 469.21138974 |
| Monoisotopic Mass | 469.21138974 |
| Topological Polar Surface Area | 98.3 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 692 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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