MCULE-5727070785
- 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 | 30 USD | 95 | 7 working days | Get Quote |
| 5 mg | 52 USD | 98 | 16 working days | Get Quote |
| 10 mg | 90 USD | 98 | 16 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-5727070785.sdf |
| SMILES | MCULE-5727070785.smiles |
| Standard InChI | MCULE-5727070785.inchi |
| InChIKey | MCULE-5727070785.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867544481 | 98 | As is | in stock |
| P-875701735 | N/A | As is | in stock |
| P-869237159 | 95 | As is | in stock |
| P-903025659 | 98 | As is | 600 mg |
| P-1264054956 | 95 | As is | in stock |
| P-893291818 | N/A | As is | in stock |
| P-888813686 | 98 | As is | 500 mg |
| P-905462548 | 95 | As is | in stock |
| P-893280357 | 99 | As is | 56 mg |
| P-901431915 | 95 | As is | by synthesis |
| P-851266861 | 95 | As is | by synthesis |
| P-861286067 | 98 | As is | in stock |
| P-887185996 | 95 | As is | by synthesis |
| P-579481804 | 95 | As is | in stock |
| P-675217651 | 95 | As is | in stock |
| P-873245678 | 97 | As is | 10 mg |
| P-854718030 | 95 | As is | in stock |
| P-871065740 | 95 | As is | in stock |
| P-608271700 | 98 | As is | in stock |
| P-617404166 | N/A | As is | in stock |
| P-594275621 | 95 | As is | by synthesis |
| P-892298544 | 95 | As is | unavailable |
| P-888658198 | 95 | As is | 37 mg |
| P-886952178 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 383.445 |
| logP | 4.9007 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 99.3 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 111.8173 |
| Atoms | 50 |
| Rings | 5 |
| Heavy atoms | 29 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |

