| CAS Number | 951571-70-3 |
| Catalog Number | AG01EO4K(AGN-PC-3H466G) |
| Chemical Name | Neurotoxin Inhibitor |
| IUPAC Name | 1-(1,3-benzothiazol-2-yl)-4-phenyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one |
| InChI | InChI=1S/C19H14N4OS/c24-17-10-13(12-6-2-1-3-7-12)14-11-20-23(18(14)22-17)19-21-15-8-4-5-9-16(15)25-19/h1-9,11,13H,10H2,(H,22,24) |
| InChI Key | HLFQUUKVLVOMHH-UHFFFAOYSA-N |
| MDL Number | MFCD27224013 |
| Molecular Formula | C19H14N4OS |
| Molecular Weight | 346.4057 |
| SMILES | C12N(C3=NC4=CC=CC=C4S3)N=CC=1C(C1=CC=CC=C1)CC(=O)N2 |
| Synonyms | Neurotoxin Inhibitor,
951571-70-3,
HMS3533N19,
CCG-197957,
MCULE-3789860819,
HY-112722,
CS-0062900,
|
| Complexity | 512 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.408g/mol |
| Monoisotopic Mass | 346.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number