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MCULE-7285797027
Compound
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| Name | File |
|---|---|
| SDF | MCULE-7285797027.sdf |
| SMILES | MCULE-7285797027.smiles |
| Standard InChI | MCULE-7285797027.inchi |
| InChIKey | MCULE-7285797027.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-3883077 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg | August 3 |
| P-428581100 | Eximed | In-stock screening compounds | 90 | As is | in stock | February 22, 2019 |
| P-502959185 | Innovapharm | Screening Compounds | 90 | As is | in stock | August 21, 2017 |
| P-13638009 | InterBioScreen | Screening Compounds | 92 | As is | in stock | November 2, 2012 |
| P-26391903 | Otava | In-House Stock Library | 90 | As is | in stock | September 9, 2013 |
| P-13752893 | Pharmeks | Synthetic compounds | 92 | As is | in stock | November 2, 2012 |
| P-519917848 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | January 18, 2018 |
| P-2019734 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 186 mg | August 9 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 328.322 |
| logP | 1.8904 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 110.25 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 87.7627 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
