MCULE-1886103468-0
- 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 | 6 USD | 75 | 14 working days | Get Quote | 
| 5 mg | 6 USD | 75 | 14 working days | Get Quote | 
| 10 mg | 6 USD | 75 | 14 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-8161819700-0
- Component type: Main
 
 - 
                    
                    
MCULE-8295106852-0
- Component type: Main
 
 - 
                    
                    
MCULE-1078493560-0
- Component type: Main
 
 - 
                    
                    
MCULE-6875818085-0
- Component type: Main
 
 - 
                    
                    
MCULE-7732746525-0
- Component type: Main
 
 - 
                    
                    
MCULE-2236415737-0
- Component type: Main
 
 - 
                    
                    
MCULE-4417918319-0
- Component type: Main
 
 - 
                    
                    
MCULE-6235601649-0
- Component type: Main
 
 - 
                    
                    
MCULE-1441434462-0
- Component type: Main
 
 - 
                    
                    
MCULE-3868438794-0
- Component type: Main
 
 
| Name | File | 
|---|---|
| SDF | MCULE-1886103468-0.sdf | 
| SMILES | MCULE-1886103468-0.smiles | 
| Standard InChI | MCULE-1886103468-0.inchi | 
| InChIKey | MCULE-1886103468-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867599694 | 98 | As a main component | in stock | 
| P-867626012 | 95 | As a main component | in stock | 
| P-875724462 | N/A | As a main component | in stock | 
| P-875757669 | N/A | As a main component | in stock | 
| P-875789364 | N/A | As a main component | in stock | 
| P-869187634 | 95 | As a main component | in stock | 
| P-881662653 | 95 | As a main component | in stock | 
| P-588246896 | 98 | As a main component | in stock | 
| P-853424168 | 98 | As a main component | in stock | 
| P-590414881 | 95 | As a main component | in stock | 
| P-903053668 | 75 | As a main component | 7 kg | 
| P-903092653 | 98 | As a main component | 50 g | 
| P-903140301 | 98 | As a main component | 2 kg | 
| P-851777647 | N/A | As a main component | by synthesis | 
| P-606947532 | N/A | As a main component | in stock | 
| P-851925819 | N/A | As a main component | in stock | 
| P-489234083 | 97 | As a main component | in stock | 
| P-596989490 | 98 | As a main component | 50 g | 
| P-596985256 | 98 | As a main component | 5 kg | 
| P-596946677 | 75 | As a main component | 6.5 kg | 
| P-864197070 | 95 | As a main component | in stock | 
| P-864197275 | 95 | As a main component | in stock | 
| P-864206141 | 95 | As a main component | in stock | 
| P-674400112 | 98 | As a main component | 146.575 g | 
| P-591099038 | 95 | As a main component | by synthesis | 
| P-893228182 | 95 | As a main component | in stock | 
| P-893228867 | 95 | As a main component | in stock | 
| P-861479300 | 95 | As a main component | by synthesis | 
| P-868614669 | 98 | As a main component | in stock | 
| P-868617012 | 95 | As a main component | in stock | 
| P-872606492 | 95 | As a main component | in stock | 
| P-580377116 | N/A | As a main component | by resynthesis (? - ? days) | 
| P-889435469 | 95 | As a main component | 2.2501 kg | 
| P-905354324 | 98 | As a main component | 5.325 kg | 
| P-870656429 | N/A | As a main component | in stock | 
| P-856008500 | 97 | As a main component | 100 mg | 
| P-596568867 | 97 | As a main component | 100 g | 
| P-596576643 | 97 | As a main component | 5 g | 
| P-855984584 | 97 | As a main component | 100 g | 
| P-580490693 | 75 | As a main component | by synthesis | 
| P-852466796 | N/A | As a main component | in stock | 
| P-852467275 | N/A | As a main component | in stock | 
| P-863688544 | 95 | As a main component | in stock | 
| P-904369257 | 95 | As a main component | in stock | 
| P-871067407 | 95 | As a main component | in stock | 
| P-885536825 | 95 | As a main component | by synthesis | 
| P-885536824 | 95 | As a main component | by synthesis | 
| P-906791712 | 98 | As a main component | by synthesis | 
| P-906771639 | 97 | As a main component | by synthesis | 
| P-611448970 | 90 | As a main component | in stock | 
| P-611448971 | 90 | As a main component | in stock | 
| P-611448972 | 90 | As a main component | in stock | 
| P-615408215 | 95 | As a main component | in stock | 
| P-615409341 | 95 | As a main component | in stock | 
| P-615454938 | 95 | As a main component | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 551.048 | 
| logP | 13.5858 | 
| H-bond acceptors | 1 | 
| H-bond donors | 0 | 
| Rotatable bonds | 34 | 
| PSA | 0.0 | 
| RO5 violations | 2 | 
| RO3 violations | 3 | 
| Refractivity | 187.1544 | 
| Atoms | 119 | 
| Rings | 0 | 
| Heavy atoms | 39 | 
| Hydrogen atoms | 80 | 
| Heteroatoms | 1 | 
| N/O atoms | 1 | 
| 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 | 

