MCULE-6889005721-0
- 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 | 36 USD | 98 | 20 working days | Get Quote |
5 mg | 36 USD | 98 | 20 working days | Get Quote |
10 mg | 36 USD | 98 | 20 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.
-
1
MCULE-5140143692-0
- Component type: Main
-
1
MCULE-3867000095-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6889005721-0.sdf |
SMILES | MCULE-6889005721-0.smiles |
Standard InChI | MCULE-6889005721-0.inchi |
InChIKey | MCULE-6889005721-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-675029924 | 90 | Main component | in stock |
P-870652277 | N/A | Main component | in stock |
P-608083777 | 98 | Main component | 50 g |
P-885537904 | 95 | Main component | by synthesis |
P-675095820 | 90 | Main component | in stock |
P-903769113 | 94 | Main component | by resynthesis (? - ? days) |
P-852023314 | 90 | Main component | 1.203 g |
P-860615288 | 98 | Main component as a main component | by synthesis |
P-901201810 | N/A | Main component as a main component | by synthesis |
P-903171228 | 98 | Main component as a main component | 5 g |
P-893523092 | 90 | Main component as a main component | 1.329 g |
P-856056071 | 95 | Main component as a main component | by synthesis |
P-881108617 | 98 | Main component as a main component | 1000 mg |
P-855984145 | 97 | Main component as a main component | 100 mg |
P-889883839 | 95 | Main component as a main component | by synthesis |
P-33331968 | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 486.513 |
logP | 0.9906 |
H-bond acceptors | 10 |
H-bond donors | 5 |
Rotatable bonds | 6 |
PSA | 160.39 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 129.4799 |
Atoms | 65 |
Rings | 5 |
Heavy atoms | 35 |
Hydrogen atoms | 30 |
Heteroatoms | 10 |
N/O atoms | 10 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 5 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 5 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |