| CAS Number | 1402837-79-9 |
| Catalog Number | AG009CIC |
| Chemical Name | IDO-IN-5 |
| IUPAC Name | 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol |
| InChI | InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2 |
| InChI Key | YGACXVRLDHEXKY-UHFFFAOYSA-N |
| MDL Number | MFCD29472255 |
| Molecular Formula | C18H21FN2O2 |
| Molecular Weight | 316.3699 |
| SMILES | C1C=C(F)C2[C@@H](C[C@@H](O)[C@]3([H])CC[C@@H](O)CC3)N3C=NC=C3C=2C=1 |
| Synonyms | 1402837-79-9,
SCHEMBL13281928,
SCHEMBL13469688,
SCHEMBL13469698,
1402837-77-7,
AKOS030527873,
AKOS032953812,
Navoximod,
IDO-IN-5,
IDO-IN-6,
IDO-IN-8,
1402837-76-6,
1402837-78-8,
|
| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.376g/mol |
| Monoisotopic Mass | 316.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number