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MCULE-5064228343-1
Structure
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- InChIKey:
- SMILES:
- 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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5064228343-1.sdf |
| SMILES | MCULE-5064228343-1.smiles |
| Standard InChI | MCULE-5064228343-1.inchi |
| InChIKey | MCULE-5064228343-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675257136 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
| P-502485660 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
| P-502485954 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
| P-675527661 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-856011485 | LaboTest | Screening Collection | 90 | As a main component | 100 mg |
| P-674896757 | Otava | In-House Stock Library | 90 | As a main component | 50 mg |
| P-617764979 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 21 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.352 |
| logP | 1.4567 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 86.64 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.7447 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
