| CAS Number | 1600515-49-8 |
| Catalog Number | AG00ATFE(AGN-PC-0WGDDD) |
| Chemical Name | Tilfrinib |
| IUPAC Name | 3-(9H-pyrido[2,3-b]indol-4-ylamino)phenol |
| InChI | InChI=1S/C17H13N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,21H,(H2,18,19,20) |
| InChI Key | RXPZOSHFGJWSLQ-UHFFFAOYSA-N |
| MDL Number | MFCD30011871 |
| Molecular Formula | C17H13N3O |
| Molecular Weight | 275.3046 |
| SMILES | OC1=CC=CC(NC2=CC=NC3=C2C4=C(C=CC=C4)N3)=C1 |
| Synonyms | Tilfrinib,
1600515-49-8,
CHEMBL3133821,
3-(9H-Pyrido[2,3-b]indol-4-ylamino)phenol,
3-(1H-Pyrido[2,3-b]indole-4-ylamino)phenol,
BDBM50001733,
AKOS027470214,
ZINC103297550,
A16086,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.311g/mol |
| Monoisotopic Mass | 275.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number