MCULE-5397392101
- 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 | 12 USD | 98 | 20 working days | Get Quote |
| 5 mg | 26 USD | 98 | 20 working days | Get Quote |
| 10 mg | 43 USD | 98 | 20 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-5970209570
- Component type: Main
-
MCULE-1838224955
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5397392101.sdf |
| SMILES | MCULE-5397392101.smiles |
| Standard InChI | MCULE-5397392101.inchi |
| InChIKey | MCULE-5397392101.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867504969 | N/A | As is | by synthesis |
| P-489221114 | 97 | As is | in stock |
| P-872724269 | 98 | As is | in stock |
| P-590934275 | 98 | As is | by synthesis |
| P-901419398 | 95 | As is | by synthesis |
| P-893265261 | 95 | As is | by synthesis |
| P-675215792 | 95 | As is | in stock |
| P-854708848 | 95 | As is | by synthesis |
| P-892262625 | 95 | As is | by synthesis |
| P-892344000 | 95 | As is | unavailable |
| P-867543781 | 98 | As a main component | in stock |
| P-875701277 | N/A | As a main component | in stock |
| P-590360684 | 98 | As a main component | in stock |
| P-903024874 | 99 | As a main component | 500 mg |
| P-610888371 | 90 | As a main component | by synthesis |
| P-606942710 | N/A | As a main component | in stock |
| P-596939142 | 98 | As a main component | 500 mg |
| P-580195126 | 98 | As a main component | in stock |
| P-864150119 | 95 | As a main component | in stock |
| P-580700723 | 99 | As a main component | 1.024 g |
| P-851268635 | 95 | As a main component | by synthesis |
| P-860798734 | 98 | As a main component | in stock |
| P-861366493 | 98 | As a main component | by synthesis |
| P-579479157 | 95 | As a main component | in stock |
| P-596584314 | 97 | As a main component | 50 mg |
| P-1263157722 | 95 | As a main component | by synthesis |
| P-854712448 | 95 | As a main component | in stock |
| P-1263158724 | 95 | As a main component | in stock |
| P-474026392 | 95 | As a main component | in stock |
| P-888171557 | 98 | As a main component | by synthesis |
| P-579712268 | N/A | As a main component | in stock |
| P-589631452 | N/A | As a main component | in stock |
| P-869162330 | 95 | As a main component | by synthesis |
| P-892297445 | 95 | As a main component | unavailable |
| P-888657706 | 95 | As a main component | 145 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 457.549 |
| logP | 4.8458 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 131.2 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 138.2548 |
| Atoms | 56 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 23 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |

