MCULE-5142805548-0
- 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 | 17 USD | 98 | 11 working days | Get Quote |
| 5 mg | 17 USD | 98 | 11 working days | Get Quote |
| 10 mg | 17 USD | 98 | 11 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-5142805548-0.sdf |
| SMILES | MCULE-5142805548-0.smiles |
| Standard InChI | MCULE-5142805548-0.inchi |
| InChIKey | MCULE-5142805548-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867415503 | N/A | As is | by synthesis |
| P-869187423 | 95 | As is | in stock |
| P-505353180 | 98 | As is | in stock |
| P-505389493 | 99 | As is | in stock |
| P-580193711 | 98 | As is | in stock |
| P-864131429 | 95 | As is | in stock |
| P-860055530 | 99 | As is | by synthesis |
| P-868545891 | 99 | As is | in stock |
| P-871220273 | N/A | As is | by resynthesis (? - ? days) |
| P-901519410 | 95 | As is | by synthesis |
| P-893230510 | 95 | As is | in stock |
| P-505575219 | 98 | As is | in stock |
| P-851247455 | 95 | As is | by synthesis |
| P-580450293 | 99 | As is | in stock |
| P-868591550 | 98 | As is | in stock |
| P-608496585 | 95 | As is | in stock |
| P-905326705 | 95 | As is | in stock |
| P-608220403 | 98 | As is | in stock |
| P-505498971 | 95 | As is | in stock |
| P-488555527 | 92 | As is | in stock |
| P-488553552 | 90 | As is | in stock |
| P-524440347 | 97 | As is | 421 mg |
| P-852522517 | N/A | As is | in stock |
| P-899992941 | 95 | As is | in stock |
| P-854719438 | 95 | As is | in stock |
| P-474023726 | 95 | As is | in stock |
| P-608274673 | 98 | As is | in stock |
| P-454373447 | 92 | As is | in stock |
| P-13831570 | 92 | As is | 300 mg |
| P-500377292 | 98 | As is | by synthesis |
| P-1263956067 | 90 | As is | in stock |
| P-885528893 | 95 | As is | by synthesis |
| P-519918019 | 90 | As is | in stock |
| P-579710383 | N/A | As is | in stock |
| P-869119975 | 95 | As is | by synthesis |
| P-892289322 | 95 | As is | unavailable |
| P-888634828 | 95 | As is | 101 mg |
| P-2027868 | 90 | As is | 123 mg |
| P-590435347 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 445.537 |
| logP | 4.3316 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 138.53 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 115.3026 |
| Atoms | 58 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 27 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |

