MCULE-5852618216-0
- 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 | 36 USD | 95 | 26 working days | Get Quote | 
| 5 mg | 36 USD | 95 | 26 working days | Get Quote | 
| 10 mg | 41 USD | 95 | 26 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.
- 
                    
                    - MCULE-5848047227-0
- Component type: Main
 
| Name | File | 
|---|---|
| SDF | MCULE-5852618216-0.sdf | 
| SMILES | MCULE-5852618216-0.smiles | 
| Standard InChI | MCULE-5852618216-0.inchi | 
| InChIKey | MCULE-5852618216-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867594568 | 95 | As is | in stock | 
| P-875753183 | N/A | As is | in stock | 
| P-590356829 | 95 | As is | in stock | 
| P-903086720 | 95 | As is | 5 g | 
| P-851900757 | N/A | As is | by synthesis | 
| P-870023321 | 90 | As is | 1000 mg | 
| P-596503645 | 90 | As is | 1000 mg | 
| P-889810720 | 95 | As is | by synthesis | 
| P-492254673 | 95 | As is | in stock | 
| P-454636259 | 90 | As is | in stock | 
| P-448836109 | 90 | As is | 32.195 g | 
| P-436450270 | 95 | As is | 19 g | 
| P-861536995 | 95 | As is | by synthesis | 
| P-905312432 | 95 | As is | 750 mg | 
| P-502471313 | 95 | As is | by synthesis | 
| P-502952781 | 90 | As is | in stock | 
| P-492223916 | 95 | As is | in stock | 
| P-588710091 | 95 | As is | unavailable | 
| P-852380915 | N/A | As is | in stock | 
| P-895259789 | 95 | As is | by synthesis | 
| P-621088997 | 90 | As is | by synthesis | 
| P-33464521 | 90 | As is | in stock | 
| P-502331540 | 90 | As is | in stock | 
| P-903652694 | 94 | As is | by resynthesis (? - ? days) | 
| P-611563782 | 90 | As is | in stock | 
| P-893673072 | 95 | As is | by synthesis | 
| P-502918957 | 90 | As a main component | in stock | 
| P-492244870 | 95 | As a main component | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 142.242 | 
| logP | 1.3152 | 
| H-bond acceptors | 2 | 
| H-bond donors | 1 | 
| Rotatable bonds | 2 | 
| PSA | 29.26 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 47.9744 | 
| Atoms | 28 | 
| Rings | 1 | 
| Heavy atoms | 10 | 
| Hydrogen atoms | 18 | 
| Heteroatoms | 2 | 
| N/O atoms | 2 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| Chiral centers | 1 | 
| R/S chiral centers | 0 | 
| Unknown chiral centers | 0 | 
| Undefined chiral centers | 1 | 
| Stereo double bonds | 0 | 
| Cis/trans stereo double bonds | 0 | 
| Unknown stereo double bonds | 0 | 
| Undefined stereo double bonds | 0 | 

