MCULE-5793570941
- 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 | 201 USD | 99 | 24 working days | Get Quote |
| 5 mg | 260 USD | 95 | 14 working days | Get Quote |
| 10 mg | 416 USD | 95 | 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-5793570941.sdf |
| SMILES | MCULE-5793570941.smiles |
| Standard InChI | MCULE-5793570941.inchi |
| InChIKey | MCULE-5793570941.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867680055 | 98 | As is | in stock |
| P-875859036 | 98 | As is | in stock |
| P-869250863 | 95 | As is | by resynthesis (? - ? days) |
| P-851577985 | N/A | As is | by synthesis |
| P-895106468 | N/A | As is | 25 mg |
| P-1274807598 | 95 | As is | by resynthesis (? - ? days) |
| P-889795327 | 95 | As is | by synthesis |
| P-590944748 | 99 | As is | by synthesis |
| P-893245038 | 95 | As is | in stock |
| P-887189147 | 95 | As is | by synthesis |
| P-873251011 | 97 | As is | 5 mg |
| P-854719363 | 95 | As is | in stock |
| P-1273486843 | 95 | As is | by synthesis |
| P-888169030 | 98 | As is | by synthesis |
| P-869111460 | 95 | As is | unavailable |
| P-888629370 | 95 | As is | unavailable |
| P-855071171 | 90 | As is | in stock |
| P-868532865 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 565.614 |
| logP | 5.6315 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 110.96 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 160.5993 |
| Atoms | 73 |
| Rings | 7 |
| Heavy atoms | 42 |
| Hydrogen atoms | 31 |
| Heteroatoms | 9 |
| 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 |

