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MCULE-5158864013-0
Structure
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- InChIKey:
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- InChI:
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| 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 | 67 USD | 90 | 22 working days | Get Quote |
| 5 mg | 84 USD | 90 | 22 working days | Get Quote |
| 10 mg | 109 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5158864013-0.sdf |
| SMILES | MCULE-5158864013-0.smiles |
| Standard InChI | MCULE-5158864013-0.inchi |
| InChIKey | MCULE-5158864013-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-525104938 | AsisChem | In-stock Compounds for biological screening | 95 | As is | in stock |
| P-6050882 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-4417304 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-625390597 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 448.938 |
| logP | 5.4208 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 58.64 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 130.3842 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 25 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
