MCULE-5672354434-0
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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.
-
MCULE-6379338884-0
- Component type: Main
-
MCULE-2815724007-0
- Component type: Main
-
MCULE-3495486621-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5672354434-0.sdf |
| SMILES | MCULE-5672354434-0.smiles |
| Standard InChI | MCULE-5672354434-0.inchi |
| InChIKey | MCULE-5672354434-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867494085 | N/A | As is | by synthesis |
| P-903163756 | 95 | As is | 1000 mg |
| P-855231016 | 90 | As is | in stock |
| P-867670533 | 95 | As a main component | in stock |
| P-875844485 | N/A | As a main component | in stock |
| P-904607584 | 95 | As a main component | in stock |
| P-901487575 | 95 | As a main component | by synthesis |
| P-674238034 | 90 | As a main component | 46 mg |
| P-861375795 | 95 | As a main component | by synthesis |
| P-34559721 | 90 | As a main component | in stock |
| P-869056600 | 95 | As a main component | by synthesis |
| P-617744406 | 90 | As a main component | 139 mg |
| P-893663985 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 275.771 |
| logP | 4.0718 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 79.8127 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

