MCULE-5478761622-0
- 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 | 8 USD | 97 | 22 working days | Get Quote |
| 5 mg | 20 USD | 98 | 16 working days | Get Quote |
| 10 mg | 29 USD | 98 | 16 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-5478761622-0.sdf |
| SMILES | MCULE-5478761622-0.smiles |
| Standard InChI | MCULE-5478761622-0.inchi |
| InChIKey | MCULE-5478761622-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867604118 | 97 | As is | in stock |
| P-875761873 | N/A | As is | in stock |
| P-505401818 | 98 | As is | in stock |
| P-590399321 | 95 | As is | in stock |
| P-903098190 | 98 | As is | 5 g |
| P-606845454 | N/A | As is | in stock |
| P-489123348 | 97 | As is | in stock |
| P-596959990 | 98 | As is | 5 g |
| P-580195390 | 98 | As is | in stock |
| P-864110773 | 98 | As is | in stock |
| P-889750248 | 97 | As is | 10 g |
| P-893261239 | 95 | As is | by synthesis |
| P-619710329 | 95 | As is | 100 g |
| P-851280219 | 95 | As is | by synthesis |
| P-579480619 | 95 | As is | in stock |
| P-870653205 | 98 | As is | in stock |
| P-31155330 | 90 | As is | 250 mg |
| P-852426805 | N/A | As is | in stock |
| P-896630105 | 95 | As is | by synthesis |
| P-854716377 | 95 | As is | in stock |
| P-474027343 | 95 | As is | in stock |
| P-608275738 | 98 | As is | in stock |
| P-500412239 | 98 | As is | by synthesis |
| P-885543459 | 95 | As is | by synthesis |
| P-870132513 | 97 | As is | in stock |
| P-617401662 | N/A | As is | in stock |
| P-464630183 | 95 | As is | by synthesis |
| P-892287998 | 95 | As is | unavailable |
| P-888630393 | 95 | As is | 174 mg |
| P-611530537 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 189.221 |
| logP | 0.622 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 50.93 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 60.615 |
| Atoms | 23 |
| Rings | 3 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |

