| CAS Number | 1808113-09-8 |
| Catalog Number | AG01FPOX(AGN-PC-3H5P21) |
| Chemical Name | Corin |
| IUPAC Name | 4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamide |
| InChI | InChI=1S/C26H28N4O2/c27-22-5-1-2-6-24(22)30-26(32)19-10-8-17(9-11-19)4-3-7-25(31)29-20-14-12-18(13-15-20)21-16-23(21)28/h1-2,5-6,8-15,21,23H,3-4,7,16,27-28H2,(H,29,31)(H,30,32) |
| InChI Key | TYTLARZOLKJSJU-UHFFFAOYSA-N |
| MDL Number | MFCD00192279 |
| Molecular Formula | C26H28N4O2 |
| Molecular Weight | 428.5261 |
| SMILES | N[C@@H]1[C@H](C1)C1=CC=C(C=C1)NC(CCCC1=CC=C(C(=O)NC2=C(C=CC=C2)N)C=C1)=O |
| Synonyms | CORIN,
1808113-09-8,
SCHEMBL17073055,
BCP30529,
|
| Complexity | 625 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 428.221226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 428.5g/mol |
| Monoisotopic Mass | 428.221226g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 110Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number