MCULE-5524546462
- 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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 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.
-
MCULE-5769095584
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5524546462.sdf |
| SMILES | MCULE-5524546462.smiles |
| Standard InChI | MCULE-5524546462.inchi |
| InChIKey | MCULE-5524546462.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867550164 | 97 | As is | in stock |
| P-867301944 | 98 | As is | by synthesis |
| P-875707921 | 98 | As is | in stock |
| P-1264918169 | 98 | As is | by synthesis |
| P-597028281 | 97 | As is | unavailable |
| P-1275158805 | 95 | As is | in stock |
| P-1275193528 | 98 | As is | in stock |
| P-1264555666 | 98 | As is | 175 g |
| P-903034083 | 98 | As is | 500 g |
| P-901166512 | 98 | As is | in stock |
| P-1270273080 | 97 | As is | in stock |
| P-580241312 | 95 | As is | by synthesis |
| P-875896923 | 95 | As is | in stock |
| P-606862527 | N/A | As is | in stock |
| P-489179385 | 97 | As is | in stock |
| P-596926807 | 98 | As is | 500 g |
| P-1271941839 | 98 | As is | 175 g |
| P-1273299739 | 95 | As is | by resynthesis (? - ? days) |
| P-494323309 | 95 | As is | 508.16 g |
| P-864094555 | 95 | As is | in stock |
| P-481168917 | 95 | As is | 25 g |
| P-580721947 | 97 | As is | 131 g |
| P-851279452 | 95 | As is | by synthesis |
| P-861272468 | 95 | As is | in stock |
| P-868643753 | 98 | As is | in stock |
| P-580286021 | N/A | As is | by resynthesis (? - ? days) |
| P-580417875 | 95 | As is | by resynthesis (? - ? days) |
| P-861971487 | 98 | As is | 892.454 g |
| P-905334166 | 98 | As is | 178 g |
| P-901369310 | 98 | As is | 18.05 g |
| P-505514316 | 95 | As is | in stock |
| P-454350767 | 90 | As is | 167 mg |
| P-579611677 | 98 | As is | in stock |
| P-580480362 | N/A | As is | by synthesis |
| P-852442642 | N/A | As is | by synthesis |
| P-1272580311 | N/A | As is | in stock |
| P-854736681 | 95 | As is | in stock |
| P-885548715 | 95 | As is | by synthesis |
| P-613814442 | 97 | As is | in stock |
| P-596746004 | 97 | As is | 135 g |
| P-502360770 | 90 | As is | in stock |
| P-906782194 | 97 | As is | by synthesis |
| P-611369457 | 90 | As is | in stock |
| P-1279110657 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 269.015 |
| logP | 3.1661 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 46.1033 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 4 |
| Heteroatoms | 6 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

