MCULE-5459456675
- 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 | 9 USD | 98 | 14 working days | Get Quote |
| 5 mg | 9 USD | 98 | 14 working days | Get Quote |
| 10 mg | 9 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-5459456675.sdf |
| SMILES | MCULE-5459456675.smiles |
| Standard InChI | MCULE-5459456675.inchi |
| InChIKey | MCULE-5459456675.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867567399 | 95 | As is | in stock |
| P-875727324 | N/A | As is | in stock |
| P-612940847 | 95 | As is | in stock |
| P-903056316 | 98 | As is | 50 g |
| P-610991903 | 90 | As is | 878.942 g |
| P-606906658 | N/A | As is | in stock |
| P-596929636 | 98 | As is | 20 g |
| P-895947465 | 95 | As is | by resynthesis (? - ? days) |
| P-864132588 | 95 | As is | in stock |
| P-615698290 | 95 | As is | 6 g |
| P-5532652 | 90 | As is | 100 mg |
| P-619930049 | 90 | As is | by synthesis |
| P-34909573 | 90 | As is | in stock |
| P-851275795 | 95 | As is | by synthesis |
| P-861280952 | 97 | As is | in stock |
| P-868618387 | 97 | As is | in stock |
| P-862114414 | 95 | As is | 41.618 g |
| P-563585241 | 95 | As is | 5 g |
| P-615653532 | 95 | As is | in stock |
| P-31183782 | 90 | As is | 250 mg |
| P-852384929 | N/A | As is | in stock |
| P-863694531 | 95 | As is | in stock |
| P-19115210 | 90 | As is | in stock |
| P-904093212 | 95 | As is | 12.5 g |
| P-502385464 | 90 | As is | in stock |
| P-888578213 | 94 | As is | by resynthesis (? - ? days) |
| P-906865419 | 98 | As is | by synthesis |
| P-611482596 | 90 | As is | in stock |
| P-3238321 | 90 | As is | 1.532 g |
| P-893993797 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 205.034 |
| logP | 2.8145 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.3415 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

