| CAS Number | 2132396-40-6 |
| Catalog Number | AG01EOOO(AGN-PC-3H46GJ) |
| Chemical Name | CD73-IN-1 |
| IUPAC Name | 5-[(2-cyclopropyl-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide |
| InChI | InChI=1S/C18H17N3O4S/c19-18(23)14-9-13(5-6-17(14)22)26(24,25)21-12-4-3-11-7-15(10-1-2-10)20-16(11)8-12/h3-10,20-22H,1-2H2,(H2,19,23) |
| InChI Key | YUGALILHRFUCAY-UHFFFAOYSA-N |
| MDL Number | MFCD31619250 |
| Molecular Formula | C18H17N3O4S |
| Molecular Weight | 371.4103 |
| SMILES | O=S(NC1=CC=C(C=C(C2CC2)N3)C3=C1)(C4=CC=C(O)C(C(N)=O)=C4)=O |
| Synonyms | CD73-IN-1,
2132396-40-6,
SCHEMBL19329664,
VPS34 inhibitor(Compound 80),
HY-103695,
CS-0032933,
|
| Complexity | 645 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.411g/mol |
| Monoisotopic Mass | 371.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number