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UNKNOWN STEREO
MCULE-5525588524
Compound
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- 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 | 1482 USD | 95 | 37 working days | Get Quote |
| 5 mg | 1482 USD | 95 | 37 working days | Get Quote |
| 10 mg | 1482 USD | 95 | 37 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-5525588524.sdf |
| SMILES | MCULE-5525588524.smiles |
| Standard InChI | MCULE-5525588524.inchi |
| InChIKey | MCULE-5525588524.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869131781 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888642796 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 614.491 |
| logP | 6.2641 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 135.44 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 165.097 |
| Atoms | 72 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 30 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
