MCULE-5467366127
- 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 | 8 USD | 97 | 22 working days | Get Quote |
| 5 mg | 28 USD | 97 | 22 working days | Get Quote |
| 10 mg | 28 USD | 97 | 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-5467366127.sdf |
| SMILES | MCULE-5467366127.smiles |
| Standard InChI | MCULE-5467366127.inchi |
| InChIKey | MCULE-5467366127.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553613 | 97 | As is | in stock |
| P-875712155 | N/A | As is | in stock |
| P-869243321 | 95 | As is | in stock |
| P-893509725 | 90 | As is | 644 mg |
| P-606873605 | N/A | As is | in stock |
| P-869394498 | 99 | As is | by synthesis |
| P-500414194 | 95 | As is | by synthesis |
| P-580699093 | 98 | As is | 179 mg |
| P-901458681 | 95 | As is | by synthesis |
| P-452652449 | 98 | As is | in stock |
| P-861365644 | 95 | As is | by synthesis |
| P-579476946 | 95 | As is | in stock |
| P-870660193 | N/A | As is | in stock |
| P-596568811 | 97 | As is | 10 mg |
| P-896626933 | 95 | As is | by synthesis |
| P-854693539 | 95 | As is | in stock |
| P-474023682 | 95 | As is | in stock |
| P-608279342 | 98 | As is | in stock |
| P-885536962 | 95 | As is | by synthesis |
| P-617404976 | N/A | As is | in stock |
| P-580052562 | 95 | As is | by synthesis |
| P-869178210 | 95 | As is | in stock |
| P-892298201 | 95 | As is | unavailable |
| P-892347098 | 95 | As is | 151 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 320.465 |
| logP | 5.9439 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 13 |
| PSA | 57.53 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 98.0743 |
| Atoms | 55 |
| Rings | 1 |
| Heavy atoms | 23 |
| Hydrogen atoms | 32 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

