MCULE-5768291451
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price  Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences. | Guaranteed purity (%) | Delivery time  Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified. | |
|---|---|---|---|---|
| 1 mg | 25 USD | N/A | 9 working days | Get Quote | 
| 5 mg | 25 USD | N/A | 9 working days | Get Quote | 
| 10 mg | 35 USD | N/A | 9 working days | Get Quote | 
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File | 
|---|---|
| SDF | MCULE-5768291451.sdf | 
| SMILES | MCULE-5768291451.smiles | 
| Standard InChI | MCULE-5768291451.inchi | 
| InChIKey | MCULE-5768291451.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867630410 | 98 | As is | in stock | 
| P-875794327 | N/A | As is | in stock | 
| P-903146057 | 99 | As is | 300 mg | 
| P-893606929 | 90 | As is | 1.393 g | 
| P-896061168 | N/A | As is | in stock | 
| P-865919745 | 98 | As is | 300 mg | 
| P-864204297 | 95 | As is | in stock | 
| P-893253078 | 95 | As is | by synthesis | 
| P-580276881 | 95 | As is | by resynthesis (? - ? days) | 
| P-1263154931 | 95 | As is | by synthesis | 
| P-895183577 | 95 | As is | in stock | 
| P-474022583 | 95 | As is | in stock | 
| P-888174209 | 98 | As is | by synthesis | 
| P-906864060 | 98 | As is | by synthesis | 
| P-611473547 | 90 | As is | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 248.281 | 
| logP | 0.6179 | 
| H-bond acceptors | 6 | 
| H-bond donors | 1 | 
| Rotatable bonds | 1 | 
| PSA | 72.68 | 
| RO5 violations | 0 | 
| RO3 violations | 2 | 
| Refractivity | 69.2177 | 
| Atoms | 34 | 
| Rings | 3 | 
| Heavy atoms | 18 | 
| Hydrogen atoms | 16 | 
| Heteroatoms | 6 | 
| N/O atoms | 6 | 
| 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 | 

