| CAS Number | 924198-81-2 |
| Catalog Number | AG01BC3D |
| Chemical Name | Smurf1 inhibitor A17 |
| IUPAC Name | 1-ethyl-6-fluoro-4-oxo-7-[4-(3-phenylpropanoyl)piperazin-1-yl]quinoline-3-carboxylic acid |
| InChI | InChI=1S/C25H26FN3O4/c1-2-27-16-19(25(32)33)24(31)18-14-20(26)22(15-21(18)27)28-10-12-29(13-11-28)23(30)9-8-17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3,(H,32,33) |
| InChI Key | WSMQLUAQZNPXFD-UHFFFAOYSA-N |
| MDL Number | MFCD08495501 |
| Molecular Formula | C25H26FN3O4 |
| Molecular Weight | 451.49 |
| SMILES | CCN1C2=C(C=C(C(N3CCN(C(CCC4=CC=CC=C4)=O)CC3)=C2)F)C(=O)C(C(O)=O)=C1 |
| Synonyms | 924198-81-2,
1-ethyl-6-fluoro-4-oxo-7-[4-(3-phenylpropanoyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid,
1-ethyl-6-fluoro-4-oxo-7-(4-(3-phenylpropanoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid,
Smurf1 inhibitor A17,
ZINC9847172,
MCULE-9835770935,
Z85910114,
A17,
|
| Complexity | 774 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 451.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 451.498g/mol |
| Monoisotopic Mass | 451.191g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number