MCULE-5315399512
- 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 | 59 USD | 95 | 7 working days | Get Quote |
| 5 mg | 106 USD | 90 | 22 working days | Get Quote |
| 10 mg | 158 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.
| Name | File |
|---|---|
| SDF | MCULE-5315399512.sdf |
| SMILES | MCULE-5315399512.smiles |
| Standard InChI | MCULE-5315399512.inchi |
| InChIKey | MCULE-5315399512.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867677506 | 90 | As is | in stock |
| P-875854844 | N/A | As is | in stock |
| P-894635373 | 95 | As is | in stock |
| P-903293895 | 98 | As is | 10 mg |
| P-610974863 | 90 | As is | 11.03 g |
| P-851888871 | N/A | As is | by synthesis |
| P-873299607 | 98 | As is | 50 mg |
| P-864274526 | 95 | As is | by synthesis |
| P-591028717 | 98 | As is | by synthesis |
| P-878235670 | 95 | As is | by synthesis |
| P-887188063 | 95 | As is | by synthesis |
| P-579481869 | 95 | As is | in stock |
| P-854621279 | 98 | As is | in stock |
| P-873251880 | 97 | As is | 10 mg |
| P-854718586 | 95 | As is | in stock |
| P-872670397 | 95 | As is | in stock |
| P-608273123 | 98 | As is | in stock |
| P-869160894 | 95 | As is | by synthesis |
| P-892294899 | 95 | As is | unavailable |
| P-888656119 | 95 | As is | 50 mg |
| P-893892522 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 625.673 |
| logP | 5.8986 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 15 |
| PSA | 164.83 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 177.3635 |
| Atoms | 81 |
| Rings | 4 |
| Heavy atoms | 46 |
| Hydrogen atoms | 35 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| 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 |

